6-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-1-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridine-1,6-diamine

C24H33N7S — CID 167269911

IUPAC6-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-1-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridine-1,6-diamine
SMILESCSCCNc1ncc(C(C)C)c2cc(Nc3ccnc(N4CCCC(C)C4)n3)ncc12
InChIInChI=1S/C24H33N7S/c1-16(2)19-13-28-23(25-9-11-32-4)20-14-27-22(12-18(19)20)29-21-7-8-26-24(30-21)31-10-5-6-17(3)15-31/h7-8,12-14,16-17H,5-6,9-11,15H2,1-4H3,(H,25,28)(H,26,27,29,30)
InChIKeySOJJEEOKRHVVJP-UHFFFAOYSA-N
MW451.64 g/mol
LogP5.30
Rot. Bonds8

About 6-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-1-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridine-1,6-diamine

6-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-1-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridine-1,6-diamine (PubChem CID 167269911) has the molecular formula C24H33N7S and a molecular weight of 451.64 g/mol. Its IUPAC name is 6-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-1-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridine-1,6-diamine.

Molecular Properties

Compound Name6-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-1-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridine-1,6-diamine
PubChem CID167269911
Molecular FormulaC24H33N7S
Molecular Weight451.64 g/mol
Exact Mass451.25
IUPAC Name6-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-1-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridine-1,6-diamine
SMILESCSCCNc1ncc(C(C)C)c2cc(Nc3ccnc(N4CCCC(C)C4)n3)ncc12
InChIInChI=1S/C24H33N7S/c1-16(2)19-13-28-23(25-9-11-32-4)20-14-27-22(12-18(19)20)29-21-7-8-26-24(30-21)31-10-5-6-17(3)15-31/h7-8,12-14,16-17H,5-6,9-11,15H2,1-4H3,(H,25,28)(H,26,27,29,30)
InChIKeySOJJEEOKRHVVJP-UHFFFAOYSA-N
XLogP5.30
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.64
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-1-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridine-1,6-diamine with MolForge

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Related Compounds

N-(2-methoxyethyl)-6-[[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide
CID 166549981
8-(1,5-dimethyltriazol-4-yl)-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine
CID 166546899
3-fluoro-1-[4-[[8-(methylamino)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 175575140
N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-8-(3-methylazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine
CID 156550602
methanethiol;N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-8-(3-methylazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine
CID 156802118
(3R,4S)-3-fluoro-1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 166546956
N-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112883550
4-(hydroxymethyl)-1-[4-[[8-[(2R)-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 166546973
N-[2-[(3S,4R)-3-fluoro-4-[2-(methylamino)ethoxy]piperidin-1-yl]pyrimidin-4-yl]-8-[(2R)-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine
CID 166546593
4-methoxy-1-[4-[[8-[3-(methylsulfanylmethyl)azetidin-1-yl]-5-propan-2-ylisoquinolin-3-yl]amino]pyrimidin-2-yl]piperidin-3-ol
CID 156802262
CID 166549840
CID 166549840
1-[4-[[8-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-4-methylpiperidin-4-ol
CID 167276876

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-1-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridine-1,6-diamine?
The IUPAC name of 6-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-1-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridine-1,6-diamine (CID 167269911) is 6-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-1-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridine-1,6-diamine.
What is the SMILES notation for 6-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-1-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridine-1,6-diamine?
The canonical SMILES for 6-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-1-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridine-1,6-diamine is CSCCNc1ncc(C(C)C)c2cc(Nc3ccnc(N4CCCC(C)C4)n3)ncc12.
What is the InChIKey of 6-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-1-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridine-1,6-diamine?
The InChIKey is SOJJEEOKRHVVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7S/c1-16(2)19-13-28-23(25-9-11-32-4)20-14-27-22(12-18(19)20)29-21-7-8-26-24(30-21)31-10-5-6-17(3)15-31/h7-8,12-14,16-17H,5-6,9-11,15H2,1-4H3,(H,25,28)(H,26,27,29,30).
What are the key properties of 6-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-1-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridine-1,6-diamine?
6-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-1-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridine-1,6-diamine has a molecular weight of 451.64 g/mol, XLogP of 5.30, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-1-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridine-1,6-diamine is sourced from PubChem (CID 167269911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).