N-[2-(4-cyclopropyloxy-3-pyridinyl)propyl]-6-[5-methanimidoyl-6-(2-methoxyethylamino)-3-pyridinyl]pyrimidin-4-amine

C24H29N7O2 — CID 144832071

IUPACN-[2-(4-cyclopropyloxy-3-pyridinyl)propyl]-6-[5-methanimidoyl-6-(2-methoxyethylamino)-3-pyridinyl]pyrimidin-4-amine
SMILES[H]/N=C/c1cc(-c2cc(NCC(C)c3cnccc3OC3CC3)ncn2)cnc1NCCOC
InChIInChI=1S/C24H29N7O2/c1-16(20-14-26-6-5-22(20)33-19-3-4-19)12-28-23-10-21(30-15-31-23)18-9-17(11-25)24(29-13-18)27-7-8-32-2/h5-6,9-11,13-16,19,25H,3-4,7-8,12H2,1-2H3,(H,27,29)(H,28,30,31)/b25-11+
InChIKeyMWHFLVRIFUWKBR-OPEKNORGSA-N
MW447.54 g/mol
LogP3.75
Rot. Bonds12

About N-[2-(4-cyclopropyloxy-3-pyridinyl)propyl]-6-[5-methanimidoyl-6-(2-methoxyethylamino)-3-pyridinyl]pyrimidin-4-amine

N-[2-(4-cyclopropyloxy-3-pyridinyl)propyl]-6-[5-methanimidoyl-6-(2-methoxyethylamino)-3-pyridinyl]pyrimidin-4-amine (PubChem CID 144832071) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[2-(4-cyclopropyloxy-3-pyridinyl)propyl]-6-[5-methanimidoyl-6-(2-methoxyethylamino)-3-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-cyclopropyloxy-3-pyridinyl)propyl]-6-[5-methanimidoyl-6-(2-methoxyethylamino)-3-pyridinyl]pyrimidin-4-amine
PubChem CID144832071
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC NameN-[2-(4-cyclopropyloxy-3-pyridinyl)propyl]-6-[5-methanimidoyl-6-(2-methoxyethylamino)-3-pyridinyl]pyrimidin-4-amine
SMILES[H]/N=C/c1cc(-c2cc(NCC(C)c3cnccc3OC3CC3)ncn2)cnc1NCCOC
InChIInChI=1S/C24H29N7O2/c1-16(20-14-26-6-5-22(20)33-19-3-4-19)12-28-23-10-21(30-15-31-23)18-9-17(11-25)24(29-13-18)27-7-8-32-2/h5-6,9-11,13-16,19,25H,3-4,7-8,12H2,1-2H3,(H,27,29)(H,28,30,31)/b25-11+
InChIKeyMWHFLVRIFUWKBR-OPEKNORGSA-N
XLogP3.75
TPSA117.93 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[1-[[6-[5-methanimidoyl-6-(methylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide
CID 144832100
2-[[5-[6-[2-(1,3-benzothiazol-4-yl)propylamino]pyrimidin-4-yl]-3-methanimidoyl-2-pyridinyl]amino]ethanol
CID 144832009
3-methoxy-N-methyl-4-[1-[[6-[6-(oxetan-3-yloxy)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]benzamide
CID 73214082
2-[[5-[6-[2-(2-methoxyphenyl)propylamino]pyrimidin-4-yl]-2-pyridinyl]amino]propane-1,3-diol
CID 123881772
N-[2-(2-methoxyphenyl)propyl]-6-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-amine
CID 123421438
4-[1-[[6-[3-methanimidoyl-2-methyl-4-(oxetan-3-ylamino)phenyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide
CID 144832141
3-methoxy-N-methyl-4-[(2S)-1-[[6-[6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]benzamide;sulfane
CID 158126980
6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[2-[2-(oxetan-3-yloxy)phenyl]propyl]pyrimidin-4-amine
CID 73213506
4-[(2S)-1-[[6-[6-(dimethylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide
CID 118982548
3-methoxy-4-[(2S)-1-[[6-[6-[[(2S)-1-methoxypropan-2-yl]amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylbenzamide;sulfane
CID 157431990
3-methoxy-N-methyl-4-[(2S)-1-[[6-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]benzamide;sulfane
CID 162221613
N'-[5-[6-[[(2S)-2-(2-methoxyphenyl)propyl]amino]pyrimidin-4-yl]-3-pyridinyl]-N-methylethane-1,2-diamine
CID 121440702

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropyloxy-3-pyridinyl)propyl]-6-[5-methanimidoyl-6-(2-methoxyethylamino)-3-pyridinyl]pyrimidin-4-amine?
The IUPAC name of N-[2-(4-cyclopropyloxy-3-pyridinyl)propyl]-6-[5-methanimidoyl-6-(2-methoxyethylamino)-3-pyridinyl]pyrimidin-4-amine (CID 144832071) is N-[2-(4-cyclopropyloxy-3-pyridinyl)propyl]-6-[5-methanimidoyl-6-(2-methoxyethylamino)-3-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-cyclopropyloxy-3-pyridinyl)propyl]-6-[5-methanimidoyl-6-(2-methoxyethylamino)-3-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-cyclopropyloxy-3-pyridinyl)propyl]-6-[5-methanimidoyl-6-(2-methoxyethylamino)-3-pyridinyl]pyrimidin-4-amine is [H]/N=C/c1cc(-c2cc(NCC(C)c3cnccc3OC3CC3)ncn2)cnc1NCCOC.
What is the InChIKey of N-[2-(4-cyclopropyloxy-3-pyridinyl)propyl]-6-[5-methanimidoyl-6-(2-methoxyethylamino)-3-pyridinyl]pyrimidin-4-amine?
The InChIKey is MWHFLVRIFUWKBR-OPEKNORGSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-16(20-14-26-6-5-22(20)33-19-3-4-19)12-28-23-10-21(30-15-31-23)18-9-17(11-25)24(29-13-18)27-7-8-32-2/h5-6,9-11,13-16,19,25H,3-4,7-8,12H2,1-2H3,(H,27,29)(H,28,30,31)/b25-11+.
What are the key properties of N-[2-(4-cyclopropyloxy-3-pyridinyl)propyl]-6-[5-methanimidoyl-6-(2-methoxyethylamino)-3-pyridinyl]pyrimidin-4-amine?
N-[2-(4-cyclopropyloxy-3-pyridinyl)propyl]-6-[5-methanimidoyl-6-(2-methoxyethylamino)-3-pyridinyl]pyrimidin-4-amine has a molecular weight of 447.54 g/mol, XLogP of 3.75, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropyloxy-3-pyridinyl)propyl]-6-[5-methanimidoyl-6-(2-methoxyethylamino)-3-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 144832071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).