2-N-(3-chloro-2-methylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine

C15H19ClN4 — CID 112907174

IUPAC2-N-(3-chloro-2-methylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1cc(NC(C)C)nc(Nc2cccc(Cl)c2C)n1
InChIInChI=1S/C15H19ClN4/c1-9(2)17-14-8-10(3)18-15(20-14)19-13-7-5-6-12(16)11(13)4/h5-9H,1-4H3,(H2,17,18,19,20)
InChIKeyGWICMRWIGMIWTB-UHFFFAOYSA-N
MW290.80 g/mol
LogP4.31
Rot. Bonds4

About 2-N-(3-chloro-2-methylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine

2-N-(3-chloro-2-methylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 112907174) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 2-N-(3-chloro-2-methylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-2-methylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID112907174
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name2-N-(3-chloro-2-methylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1cc(NC(C)C)nc(Nc2cccc(Cl)c2C)n1
InChIInChI=1S/C15H19ClN4/c1-9(2)17-14-8-10(3)18-15(20-14)19-13-7-5-6-12(16)11(13)4/h5-9H,1-4H3,(H2,17,18,19,20)
InChIKeyGWICMRWIGMIWTB-UHFFFAOYSA-N
XLogP4.31
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,3-dimethylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907159
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907386
4-N-(3-chloro-2-methylphenyl)-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927418
4-N-(3-chloro-2-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80762805
2-N-(3-chloro-2-methylphenyl)-4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 112913522
2-N-benzyl-4-N-(3-chloro-2-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112915711
2-N-(3-chloro-2-methylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921332
4-N-(3-chloro-2-methylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112929892
N-(3-chloro-2-methylphenyl)-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360491
4-N-(3-chloro-2-methylphenyl)-2-N-(1,1-dioxothiolan-3-yl)-6-methylpyrimidine-2,4-diamine
CID 112921852
2-chloro-6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 53385561
2-N-(5-chloro-2-methylphenyl)-6-methyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916685

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-2-methylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-chloro-2-methylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 112907174) is 2-N-(3-chloro-2-methylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-chloro-2-methylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-chloro-2-methylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine is Cc1cc(NC(C)C)nc(Nc2cccc(Cl)c2C)n1.
What is the InChIKey of 2-N-(3-chloro-2-methylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is GWICMRWIGMIWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-9(2)17-14-8-10(3)18-15(20-14)19-13-7-5-6-12(16)11(13)4/h5-9H,1-4H3,(H2,17,18,19,20).
What are the key properties of 2-N-(3-chloro-2-methylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
2-N-(3-chloro-2-methylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 290.80 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-2-methylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112907174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).