6-chloro-2-ethyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine

C14H17ClN4 — CID 80717013

IUPAC6-chloro-2-ethyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCCc2ccncc2)n1
InChIInChI=1S/C14H17ClN4/c1-3-12-18-13(15)10(2)14(19-12)17-9-6-11-4-7-16-8-5-11/h4-5,7-8H,3,6,9H2,1-2H3,(H,17,18,19)
InChIKeyIEZWSCRPHFAWCD-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.05
Rot. Bonds5

About 6-chloro-2-ethyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine

6-chloro-2-ethyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine (PubChem CID 80717013) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 6-chloro-2-ethyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
PubChem CID80717013
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name6-chloro-2-ethyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCCc2ccncc2)n1
InChIInChI=1S/C14H17ClN4/c1-3-12-18-13(15)10(2)14(19-12)17-9-6-11-4-7-16-8-5-11/h4-5,7-8H,3,6,9H2,1-2H3,(H,17,18,19)
InChIKeyIEZWSCRPHFAWCD-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-N,5-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80987116
6-chloro-2-ethyl-5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 79555714
N-[2-(4-chlorophenyl)ethyl]-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80994334
6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine
CID 106900577
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
6-chloro-2-ethyl-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 103820075
6-chloro-2-ethyl-5-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 79238156
6-N,2-diethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80933212
6-chloro-2-ethyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104576944
6-chloro-2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidin-4-amine
CID 79556339
3,6-dichloro-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine
CID 81036321
6-chloro-2-ethyl-5-methyl-N-pent-4-ynylpyrimidin-4-amine
CID 103724872

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine (CID 80717013) is 6-chloro-2-ethyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine is CCc1nc(Cl)c(C)c(NCCc2ccncc2)n1.
What is the InChIKey of 6-chloro-2-ethyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is IEZWSCRPHFAWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-3-12-18-13(15)10(2)14(19-12)17-9-6-11-4-7-16-8-5-11/h4-5,7-8H,3,6,9H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-2-ethyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
6-chloro-2-ethyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 276.77 g/mol, XLogP of 3.05, 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-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 80717013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).