6-chloro-2-ethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine

C13H15ClN4 — CID 80943258

IUPAC6-chloro-2-ethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NCCc2ccccn2)n1
InChIInChI=1S/C13H15ClN4/c1-2-12-17-11(14)9-13(18-12)16-8-6-10-5-3-4-7-15-10/h3-5,7,9H,2,6,8H2,1H3,(H,16,17,18)
InChIKeyPQWZCBGDZUBWMX-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.74
Rot. Bonds5

About 6-chloro-2-ethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine

6-chloro-2-ethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine (PubChem CID 80943258) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
PubChem CID80943258
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name6-chloro-2-ethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NCCc2ccccn2)n1
InChIInChI=1S/C13H15ClN4/c1-2-12-17-11(14)9-13(18-12)16-8-6-10-5-3-4-7-15-10/h3-5,7,9H,2,6,8H2,1H3,(H,16,17,18)
InChIKeyPQWZCBGDZUBWMX-UHFFFAOYSA-N
XLogP2.74
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-ethyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80938770
6-N-methyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80945511
6-chloro-2-ethyl-N-[2-(2-fluorophenyl)ethyl]pyrimidin-4-amine
CID 80936245
6-chloro-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 82463221
2-chloro-4-N-ethyl-4-N-methyl-6-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 143437660
2,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 60725788
4-chloro-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 19432992
N-benzyl-6-chloro-2-ethylpyrimidin-4-amine
CID 80935618
6-chloro-2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 106405623
3,5-dichloro-2-N-ethyl-6-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine
CID 102755416
N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 80938806
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol
CID 106842944

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine (CID 80943258) is 6-chloro-2-ethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine is CCc1nc(Cl)cc(NCCc2ccccn2)n1.
What is the InChIKey of 6-chloro-2-ethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine?
The InChIKey is PQWZCBGDZUBWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-2-12-17-11(14)9-13(18-12)16-8-6-10-5-3-4-7-15-10/h3-5,7,9H,2,6,8H2,1H3,(H,16,17,18).
What are the key properties of 6-chloro-2-ethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine?
6-chloro-2-ethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine has a molecular weight of 262.74 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 80943258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).