4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten

C68H100N20O15W2-2 — CID 159752361

IUPAC4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten
SMILESC.CCCCOc1nc(N)c([N+](=O)[O-])c(N(CC(=O)OCC)Cc2ccnc(N3CCOCC3)c2)n1.CCCCOc1nc(N)c([N+](=O)[O-])c(N(CC(=O)OCC)Cc2ccnc(N3CCOCC3)c2)n1.CCCCOc1nc(N)c2c(n1)N(Cc1ccnc(N3CCOCC3)c1)CC(=O)C2.[CH3-].[CH3-].[W].[W]
InChIInChI=1S/2C22H31N7O6.C21H28N6O3.CH4.2CH3.2W/c2*1-3-5-10-35-22-25-20(23)19(29(31)32)21(26-22)28(15-18(30)34-4-2)14-16-6-7-24-17(13-16)27-8-11-33-12-9-27;1-2-3-8-30-21-24-19(22)17-12-16(28)14-27(20(17)25-21)13-15-4-5-23-18(11-15)26-6-9-29-10-7-26;;;;;/h2*6-7,13H,3-5,8-12,14-15H2,1-2H3,(H2,23,25,26);4-5,11H,2-3,6-10,12-14H2,1H3,(H2,22,24,25);1H4;2*1H3;;/q;;;;2*-1;;
InChIKeyUQNLGDZLEGONHQ-UHFFFAOYSA-N
MW1805.35 g/mol
LogP7.03
Rot. Bonds31

About 4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten

4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten (PubChem CID 159752361) has the molecular formula C68H100N20O15W2-2 and a molecular weight of 1805.35 g/mol. Its IUPAC name is 4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten.

Molecular Properties

Compound Name4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten
PubChem CID159752361
Molecular FormulaC68H100N20O15W2-2
Molecular Weight1805.35 g/mol
Exact Mass1804.67
IUPAC Name4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten
SMILESC.CCCCOc1nc(N)c([N+](=O)[O-])c(N(CC(=O)OCC)Cc2ccnc(N3CCOCC3)c2)n1.CCCCOc1nc(N)c([N+](=O)[O-])c(N(CC(=O)OCC)Cc2ccnc(N3CCOCC3)c2)n1.CCCCOc1nc(N)c2c(n1)N(Cc1ccnc(N3CCOCC3)c1)CC(=O)C2.[CH3-].[CH3-].[W].[W]
InChIInChI=1S/2C22H31N7O6.C21H28N6O3.CH4.2CH3.2W/c2*1-3-5-10-35-22-25-20(23)19(29(31)32)21(26-22)28(15-18(30)34-4-2)14-16-6-7-24-17(13-16)27-8-11-33-12-9-27;1-2-3-8-30-21-24-19(22)17-12-16(28)14-27(20(17)25-21)13-15-4-5-23-18(11-15)26-6-9-29-10-7-26;;;;;/h2*6-7,13H,3-5,8-12,14-15H2,1-2H3,(H2,23,25,26);4-5,11H,2-3,6-10,12-14H2,1H3,(H2,22,24,25);1H4;2*1H3;;/q;;;;2*-1;;
InChIKeyUQNLGDZLEGONHQ-UHFFFAOYSA-N
XLogP7.03
TPSA424.84 Ų
H-Bond Donors3
H-Bond Acceptors33
Rotatable Bonds31
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001805.35
LogP ≤ 57.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten?
The IUPAC name of 4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten (CID 159752361) is 4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten.
What is the SMILES notation for 4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten?
The canonical SMILES for 4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten is C.CCCCOc1nc(N)c([N+](=O)[O-])c(N(CC(=O)OCC)Cc2ccnc(N3CCOCC3)c2)n1.CCCCOc1nc(N)c([N+](=O)[O-])c(N(CC(=O)OCC)Cc2ccnc(N3CCOCC3)c2)n1.CCCCOc1nc(N)c2c(n1)N(Cc1ccnc(N3CCOCC3)c1)CC(=O)C2.[CH3-].[CH3-].[W].[W].
What is the InChIKey of 4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten?
The InChIKey is UQNLGDZLEGONHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H31N7O6.C21H28N6O3.CH4.2CH3.2W/c2*1-3-5-10-35-22-25-20(23)19(29(31)32)21(26-22)28(15-18(30)34-4-2)14-16-6-7-24-17(13-16)27-8-11-33-12-9-27;1-2-3-8-30-21-24-19(22)17-12-16(28)14-27(20(17)25-21)13-15-4-5-23-18(11-15)26-6-9-29-10-7-26;;;;;/h2*6-7,13H,3-5,8-12,14-15H2,1-2H3,(H2,23,25,26);4-5,11H,2-3,6-10,12-14H2,1H3,(H2,22,24,25);1H4;2*1H3;;/q;;;;2*-1;;.
What are the key properties of 4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten?
4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten has a molecular weight of 1805.35 g/mol, XLogP of 7.03, 31 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;carbanide;bis(ethyl 2-[(6-amino-2-butoxy-5-nitropyrimidin-4-yl)-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetate);methane;tungsten is sourced from PubChem (CID 159752361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).