4-N-(3-chloro-4-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine

C14H17ClN4 — CID 80976447

IUPAC4-N-(3-chloro-4-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(Nc2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C14H17ClN4/c1-4-12-18-13(16)9(3)14(19-12)17-10-6-5-8(2)11(15)7-10/h5-7H,4H2,1-3H3,(H3,16,17,18,19)
InChIKeyWIZHPDBURJQDJD-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.64
Rot. Bonds3

About 4-N-(3-chloro-4-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine

4-N-(3-chloro-4-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80976447) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID80976447
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name4-N-(3-chloro-4-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(Nc2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C14H17ClN4/c1-4-12-18-13(16)9(3)14(19-12)17-10-6-5-8(2)11(15)7-10/h5-7H,4H2,1-3H3,(H3,16,17,18,19)
InChIKeyWIZHPDBURJQDJD-UHFFFAOYSA-N
XLogP3.64
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[3-(dimethylamino)-4-methylphenyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 115379692
2-ethyl-5-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80976892
4-N-(4-bromo-2-chlorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80994019
4-N-(4-tert-butylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976908
2-ethyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80976619
4-N-(3-chloro-4-methoxyphenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80976999
6-chloro-N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80974136
4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 107617789
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylbenzonitrile
CID 80982732
4-N-(3-bromo-4-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80992119
4-N-[2-(2,4-dichlorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980727
4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80975992

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-chloro-4-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine (CID 80976447) is 4-N-(3-chloro-4-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-chloro-4-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine is CCc1nc(N)c(C)c(Nc2ccc(C)c(Cl)c2)n1.
What is the InChIKey of 4-N-(3-chloro-4-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is WIZHPDBURJQDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-4-12-18-13(16)9(3)14(19-12)17-10-6-5-8(2)11(15)7-10/h5-7H,4H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 4-N-(3-chloro-4-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine?
4-N-(3-chloro-4-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 276.77 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80976447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).