4-N-(2-chloro-6-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine

C16H19ClN4 — CID 80958496

IUPAC4-N-(2-chloro-6-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2c(C)cccc2Cl)nc(C2CC2)n1
InChIInChI=1S/C16H19ClN4/c1-3-18-13-9-14(21-16(20-13)11-7-8-11)19-15-10(2)5-4-6-12(15)17/h4-6,9,11H,3,7-8H2,1-2H3,(H2,18,19,20,21)
InChIKeyPUVNGBKSWPIZLS-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.49
Rot. Bonds5

About 4-N-(2-chloro-6-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine

4-N-(2-chloro-6-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine (PubChem CID 80958496) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-N-(2-chloro-6-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-6-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
PubChem CID80958496
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name4-N-(2-chloro-6-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2c(C)cccc2Cl)nc(C2CC2)n1
InChIInChI=1S/C16H19ClN4/c1-3-18-13-9-14(21-16(20-13)11-7-8-11)19-15-10(2)5-4-6-12(15)17/h4-6,9,11H,3,7-8H2,1-2H3,(H2,18,19,20,21)
InChIKeyPUVNGBKSWPIZLS-UHFFFAOYSA-N
XLogP4.49
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80956506
4-N-(2-chloro-5-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 107638910
4-N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80957024
2-cyclopropyl-N-(2,6-dichlorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969290
4-N-(2-chloro-4-iodophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 107604736
6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80962940
2-cyclopropyl-6-N-ethyl-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,6-diamine
CID 80962039
4-N-(2,6-dichlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959350
6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965500
2-cyclopropyl-6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)pyrimidine-4,6-diamine
CID 80958676
4-N-(2-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80955833
6-(3-chlorophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80952474

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-6-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-chloro-6-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine (CID 80958496) is 4-N-(2-chloro-6-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-chloro-6-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-chloro-6-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine is CCNc1cc(Nc2c(C)cccc2Cl)nc(C2CC2)n1.
What is the InChIKey of 4-N-(2-chloro-6-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine?
The InChIKey is PUVNGBKSWPIZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-3-18-13-9-14(21-16(20-13)11-7-8-11)19-15-10(2)5-4-6-12(15)17/h4-6,9,11H,3,7-8H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2-chloro-6-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine?
4-N-(2-chloro-6-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine has a molecular weight of 302.81 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-6-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80958496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).