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

C16H19ClN4 — CID 80957024

IUPAC4-N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccc(C)cc2Cl)nc(C2CC2)n1
InChIInChI=1S/C16H19ClN4/c1-3-18-14-9-15(21-16(20-14)11-5-6-11)19-13-7-4-10(2)8-12(13)17/h4,7-9,11H,3,5-6H2,1-2H3,(H2,18,19,20,21)
InChIKeyPLORCAZHTGXKGR-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.49
Rot. Bonds5

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

4-N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine (PubChem CID 80957024) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
PubChem CID80957024
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name4-N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccc(C)cc2Cl)nc(C2CC2)n1
InChIInChI=1S/C16H19ClN4/c1-3-18-14-9-15(21-16(20-14)11-5-6-11)19-13-7-4-10(2)8-12(13)17/h4,7-9,11H,3,5-6H2,1-2H3,(H2,18,19,20,21)
InChIKeyPLORCAZHTGXKGR-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

4-N-(2-chloro-5-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 107638910
4-N-(2-chloro-4-iodophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 107604736
N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80969702
6-chloro-N-(2-chloro-4-methylphenyl)-2-cyclopropylpyrimidin-4-amine
CID 80948882
4-N-(2-chloro-4-methylphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80754804
4-N-(2-chloro-6-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80958496
2-cyclopropyl-4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80956506
6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965650
4-N-(2-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80955833
2-cyclopropyl-6-N-ethyl-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,6-diamine
CID 80962039
4-N-(5-bromo-2-fluorophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80960649
4-N-(2-chloro-4-methylphenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80755241

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine (CID 80957024) is 4-N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine is CCNc1cc(Nc2ccc(C)cc2Cl)nc(C2CC2)n1.
What is the InChIKey of 4-N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine?
The InChIKey is PLORCAZHTGXKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-3-18-14-9-15(21-16(20-14)11-5-6-11)19-13-7-4-10(2)8-12(13)17/h4,7-9,11H,3,5-6H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine?
4-N-(2-chloro-4-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-4-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80957024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).