4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one

C21H29N7O2 — CID 157094266

IUPAC4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
SMILESCCCCNc1nc(N)c2c(n1)N(Cc1ccnc(N3CCOCC3)c1)CC(=O)C2
InChIInChI=1S/C21H29N7O2/c1-2-3-5-24-21-25-19(22)17-12-16(29)14-28(20(17)26-21)13-15-4-6-23-18(11-15)27-7-9-30-10-8-27/h4,6,11H,2-3,5,7-10,12-14H2,1H3,(H3,22,24,25,26)
InChIKeyULLCLTNKYGIMPV-UHFFFAOYSA-N
MW411.51 g/mol
LogP1.63
Rot. Bonds7

About 4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one

4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (PubChem CID 157094266) has the molecular formula C21H29N7O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
PubChem CID157094266
Molecular FormulaC21H29N7O2
Molecular Weight411.51 g/mol
Exact Mass411.24
IUPAC Name4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
SMILESCCCCNc1nc(N)c2c(n1)N(Cc1ccnc(N3CCOCC3)c1)CC(=O)C2
InChIInChI=1S/C21H29N7O2/c1-2-3-5-24-21-25-19(22)17-12-16(29)14-28(20(17)26-21)13-15-4-6-23-18(11-15)27-7-9-30-10-8-27/h4,6,11H,2-3,5,7-10,12-14H2,1H3,(H3,22,24,25,26)
InChIKeyULLCLTNKYGIMPV-UHFFFAOYSA-N
XLogP1.63
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-(2,2-dimethylpropylamino)-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
CID 149108631
4-amino-2-butoxy-9-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b]azepin-6-one
CID 158506418
4-[4-(2,2-dimethylpropyl)-2-pyridinyl]morpholine
CID 59574141
4-amino-2-[2-[ethoxy(methoxy)phosphoryl]ethylamino]-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
CID 162084027
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
5-amino-7-(butylamino)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,4-dihydro-1,6-naphthyridin-3-one
CID 58278170
5-amino-7-(butylamino)-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,4-dihydro-1,6-naphthyridin-3-one
CID 58278123
4-amino-7-[(3-ethylphenyl)methyl]-2-(pentylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 163985248
4-amino-2-butoxy-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
CID 147112630
4-amino-2-cyclopentyloxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropteridin-6-one
CID 59359801
4-[4-[(diethylsulfamoylamino)methyl]-2-pyridinyl]morpholine
CID 35402758
7-benzyl-2-N-butyl-6-methylidene-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 163584990

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (CID 157094266) is 4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is CCCCNc1nc(N)c2c(n1)N(Cc1ccnc(N3CCOCC3)c1)CC(=O)C2.
What is the InChIKey of 4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?
The InChIKey is ULLCLTNKYGIMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O2/c1-2-3-5-24-21-25-19(22)17-12-16(29)14-28(20(17)26-21)13-15-4-6-23-18(11-15)27-7-9-30-10-8-27/h4,6,11H,2-3,5,7-10,12-14H2,1H3,(H3,22,24,25,26).
What are the key properties of 4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?
4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one has a molecular weight of 411.51 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 157094266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).