4-N-(cyclohexylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine

C17H23N5 — CID 118716409

IUPAC4-N-(cyclohexylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
SMILESCNc1nc(NCC2CCCCC2)cc(-c2ccccn2)n1
InChIInChI=1S/C17H23N5/c1-18-17-21-15(14-9-5-6-10-19-14)11-16(22-17)20-12-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8,12H2,1H3,(H2,18,20,21,22)
InChIKeyNAQDXUQXNUZSIY-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.57
Rot. Bonds5

About 4-N-(cyclohexylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine

4-N-(cyclohexylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine (PubChem CID 118716409) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 4-N-(cyclohexylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(cyclohexylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
PubChem CID118716409
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name4-N-(cyclohexylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
SMILESCNc1nc(NCC2CCCCC2)cc(-c2ccccn2)n1
InChIInChI=1S/C17H23N5/c1-18-17-21-15(14-9-5-6-10-19-14)11-16(22-17)20-12-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8,12H2,1H3,(H2,18,20,21,22)
InChIKeyNAQDXUQXNUZSIY-UHFFFAOYSA-N
XLogP3.57
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclohexylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(cyclohexylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine (CID 118716409) is 4-N-(cyclohexylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(cyclohexylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(cyclohexylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine is CNc1nc(NCC2CCCCC2)cc(-c2ccccn2)n1.
What is the InChIKey of 4-N-(cyclohexylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine?
The InChIKey is NAQDXUQXNUZSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-18-17-21-15(14-9-5-6-10-19-14)11-16(22-17)20-12-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8,12H2,1H3,(H2,18,20,21,22).
What are the key properties of 4-N-(cyclohexylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine?
4-N-(cyclohexylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine has a molecular weight of 297.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclohexylmethyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 118716409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).