6-chloro-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

C14H17ClN4 — CID 82463221

IUPAC6-chloro-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCC(C)Cc1nc(Cl)cc(NCc2ccccn2)n1
InChIInChI=1S/C14H17ClN4/c1-10(2)7-14-18-12(15)8-13(19-14)17-9-11-5-3-4-6-16-11/h3-6,8,10H,7,9H2,1-2H3,(H,17,18,19)
InChIKeyLQYJGYSWBWXVMM-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.34
Rot. Bonds5

About 6-chloro-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

6-chloro-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 82463221) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 6-chloro-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID82463221
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name6-chloro-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCC(C)Cc1nc(Cl)cc(NCc2ccccn2)n1
InChIInChI=1S/C14H17ClN4/c1-10(2)7-14-18-12(15)8-13(19-14)17-9-11-5-3-4-6-16-11/h3-6,8,10H,7,9H2,1-2H3,(H,17,18,19)
InChIKeyLQYJGYSWBWXVMM-UHFFFAOYSA-N
XLogP3.34
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine
CID 104923669
6-chloro-2-ethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80943258
6-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-amine
CID 82463263
2-chloro-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 62476257
2-chloro-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid
CID 43343491
6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80946582
6-methyl-2-N-(3-methylbutyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919132
6-methyl-2-N-(4-propan-2-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919161
2-ethyl-6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 82454039
4-N-(2,6-dichlorophenyl)-2-methyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873352
N-benzyl-6-chloro-2-ethylpyrimidin-4-amine
CID 80935618
2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80777163

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 82463221) is 6-chloro-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is CC(C)Cc1nc(Cl)cc(NCc2ccccn2)n1.
What is the InChIKey of 6-chloro-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is LQYJGYSWBWXVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-10(2)7-14-18-12(15)8-13(19-14)17-9-11-5-3-4-6-16-11/h3-6,8,10H,7,9H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
6-chloro-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 276.77 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 82463221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).