6-chloro-N-(cyclohexylmethyl)-2-propylpyrimidin-4-amine

C14H22ClN3 — CID 80940255

IUPAC6-chloro-N-(cyclohexylmethyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NCC2CCCCC2)n1
InChIInChI=1S/C14H22ClN3/c1-2-6-13-17-12(15)9-14(18-13)16-10-11-7-4-3-5-8-11/h9,11H,2-8,10H2,1H3,(H,16,17,18)
InChIKeyQQGDDWKRASIGQH-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.07
Rot. Bonds5

About 6-chloro-N-(cyclohexylmethyl)-2-propylpyrimidin-4-amine

6-chloro-N-(cyclohexylmethyl)-2-propylpyrimidin-4-amine (PubChem CID 80940255) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 6-chloro-N-(cyclohexylmethyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(cyclohexylmethyl)-2-propylpyrimidin-4-amine
PubChem CID80940255
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name6-chloro-N-(cyclohexylmethyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NCC2CCCCC2)n1
InChIInChI=1S/C14H22ClN3/c1-2-6-13-17-12(15)9-14(18-13)16-10-11-7-4-3-5-8-11/h9,11H,2-8,10H2,1H3,(H,16,17,18)
InChIKeyQQGDDWKRASIGQH-UHFFFAOYSA-N
XLogP4.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopentylmethyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947878
6-chloro-N-(oxolan-3-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938193
6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938789
6-chloro-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80939617
4-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 114148553
6-N-methyl-4-N-[(4-methylcyclohexyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80950301
4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933194
6-chloro-2-propyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 80939981
4-N-(cyclohexylmethyl)-2-ethylpyrimidine-4,6-diamine
CID 80933363
6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953834
4-chloro-6-cyclohexylsulfanyl-2-propylpyrimidine
CID 80946529
4-N-(2-cyclopentylethyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80955141

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclohexylmethyl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(cyclohexylmethyl)-2-propylpyrimidin-4-amine (CID 80940255) is 6-chloro-N-(cyclohexylmethyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(cyclohexylmethyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(cyclohexylmethyl)-2-propylpyrimidin-4-amine is CCCc1nc(Cl)cc(NCC2CCCCC2)n1.
What is the InChIKey of 6-chloro-N-(cyclohexylmethyl)-2-propylpyrimidin-4-amine?
The InChIKey is QQGDDWKRASIGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-2-6-13-17-12(15)9-14(18-13)16-10-11-7-4-3-5-8-11/h9,11H,2-8,10H2,1H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(cyclohexylmethyl)-2-propylpyrimidin-4-amine?
6-chloro-N-(cyclohexylmethyl)-2-propylpyrimidin-4-amine has a molecular weight of 267.80 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclohexylmethyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80940255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).