N-[[3-(aminomethyl)cyclohexyl]methyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine

C22H26N6 — CID 69183338

IUPACN-[[3-(aminomethyl)cyclohexyl]methyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine
SMILESNCC1CCCC(CNc2cc(-c3cccnc3)nc(-c3ccccn3)n2)C1
InChIInChI=1S/C22H26N6/c23-13-16-5-3-6-17(11-16)14-26-21-12-20(18-7-4-9-24-15-18)27-22(28-21)19-8-1-2-10-25-19/h1-2,4,7-10,12,15-17H,3,5-6,11,13-14,23H2,(H,26,27,28)
InChIKeyKHJAECLKDIAJMZ-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.78
Rot. Bonds6

About N-[[3-(aminomethyl)cyclohexyl]methyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine

N-[[3-(aminomethyl)cyclohexyl]methyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine (PubChem CID 69183338) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[[3-(aminomethyl)cyclohexyl]methyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)cyclohexyl]methyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine
PubChem CID69183338
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC NameN-[[3-(aminomethyl)cyclohexyl]methyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine
SMILESNCC1CCCC(CNc2cc(-c3cccnc3)nc(-c3ccccn3)n2)C1
InChIInChI=1S/C22H26N6/c23-13-16-5-3-6-17(11-16)14-26-21-12-20(18-7-4-9-24-15-18)27-22(28-21)19-8-1-2-10-25-19/h1-2,4,7-10,12,15-17H,3,5-6,11,13-14,23H2,(H,26,27,28)
InChIKeyKHJAECLKDIAJMZ-UHFFFAOYSA-N
XLogP3.78
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)cyclohexyl]methyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[[3-(aminomethyl)cyclohexyl]methyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine (CID 69183338) is N-[[3-(aminomethyl)cyclohexyl]methyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[3-(aminomethyl)cyclohexyl]methyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[[3-(aminomethyl)cyclohexyl]methyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine is NCC1CCCC(CNc2cc(-c3cccnc3)nc(-c3ccccn3)n2)C1.
What is the InChIKey of N-[[3-(aminomethyl)cyclohexyl]methyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is KHJAECLKDIAJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c23-13-16-5-3-6-17(11-16)14-26-21-12-20(18-7-4-9-24-15-18)27-22(28-21)19-8-1-2-10-25-19/h1-2,4,7-10,12,15-17H,3,5-6,11,13-14,23H2,(H,26,27,28).
What are the key properties of N-[[3-(aminomethyl)cyclohexyl]methyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine?
N-[[3-(aminomethyl)cyclohexyl]methyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 374.49 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)cyclohexyl]methyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 69183338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).