1-N-methyl-4-N-(7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)cyclohexane-1,4-diamine

C18H26N6 — CID 144857747

IUPAC1-N-methyl-4-N-(7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2ncc3ccc(N4CCCC4)nc3n2)CC1
InChIInChI=1S/C18H26N6/c1-19-14-5-7-15(8-6-14)21-18-20-12-13-4-9-16(22-17(13)23-18)24-10-2-3-11-24/h4,9,12,14-15,19H,2-3,5-8,10-11H2,1H3,(H,20,21,22,23)
InChIKeyGXJFKSUDUJSGJL-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.57
Rot. Bonds4

About 1-N-methyl-4-N-(7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)cyclohexane-1,4-diamine

1-N-methyl-4-N-(7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)cyclohexane-1,4-diamine (PubChem CID 144857747) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 1-N-methyl-4-N-(7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N-(7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)cyclohexane-1,4-diamine
PubChem CID144857747
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name1-N-methyl-4-N-(7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2ncc3ccc(N4CCCC4)nc3n2)CC1
InChIInChI=1S/C18H26N6/c1-19-14-5-7-15(8-6-14)21-18-20-12-13-4-9-16(22-17(13)23-18)24-10-2-3-11-24/h4,9,12,14-15,19H,2-3,5-8,10-11H2,1H3,(H,20,21,22,23)
InChIKeyGXJFKSUDUJSGJL-UHFFFAOYSA-N
XLogP2.57
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-N-methyl-4-N-(7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)cyclohexane-1,4-diamine with MolForge

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Related Compounds

N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227252
N-cyclopropyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112939289
N-cyclohexyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941042
N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112884924
N-cyclohexyl-6-piperidin-1-ylpyridin-3-amine
CID 43690330
4-(azepan-1-yl)-N-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidin-4-yl]pyrimidin-2-amine
CID 66903427
N-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine
CID 175728686
4-(azepan-1-yl)-N-piperidin-3-ylpyrimidin-2-amine
CID 66903769
4-N-(6-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1,4-diamine
CID 79725201
N-(1-methylsulfanylpiperidin-4-yl)-8-pyrrolidin-1-ylquinazolin-2-amine
CID 170740161
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112884933
N-cyclopentyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868596

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-(7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N-(7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)cyclohexane-1,4-diamine (CID 144857747) is 1-N-methyl-4-N-(7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N-(7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N-(7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)cyclohexane-1,4-diamine is CNC1CCC(Nc2ncc3ccc(N4CCCC4)nc3n2)CC1.
What is the InChIKey of 1-N-methyl-4-N-(7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)cyclohexane-1,4-diamine?
The InChIKey is GXJFKSUDUJSGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-19-14-5-7-15(8-6-14)21-18-20-12-13-4-9-16(22-17(13)23-18)24-10-2-3-11-24/h4,9,12,14-15,19H,2-3,5-8,10-11H2,1H3,(H,20,21,22,23).
What are the key properties of 1-N-methyl-4-N-(7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)cyclohexane-1,4-diamine?
1-N-methyl-4-N-(7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)cyclohexane-1,4-diamine has a molecular weight of 326.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-(7-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 144857747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).