2-N-(4-chloro-2-methylphenyl)pyrimidine-2,5-diamine

C11H11ClN4 — CID 82290977

IUPAC2-N-(4-chloro-2-methylphenyl)pyrimidine-2,5-diamine
SMILESCc1cc(Cl)ccc1Nc1ncc(N)cn1
InChIInChI=1S/C11H11ClN4/c1-7-4-8(12)2-3-10(7)16-11-14-5-9(13)6-15-11/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeyPFQIZBHXNGADPG-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.76
Rot. Bonds2

About 2-N-(4-chloro-2-methylphenyl)pyrimidine-2,5-diamine

2-N-(4-chloro-2-methylphenyl)pyrimidine-2,5-diamine (PubChem CID 82290977) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-N-(4-chloro-2-methylphenyl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-2-methylphenyl)pyrimidine-2,5-diamine
PubChem CID82290977
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name2-N-(4-chloro-2-methylphenyl)pyrimidine-2,5-diamine
SMILESCc1cc(Cl)ccc1Nc1ncc(N)cn1
InChIInChI=1S/C11H11ClN4/c1-7-4-8(12)2-3-10(7)16-11-14-5-9(13)6-15-11/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeyPFQIZBHXNGADPG-UHFFFAOYSA-N
XLogP2.76
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methylanilino)-N-cyclopropylpyrimidine-5-carboxamide
CID 109247377
N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265407
2-N-(5-bromo-4-fluoro-2-methylphenyl)pyrimidine-2,5-diamine
CID 107590931
1-[4-[2-(4-chloro-2-methylanilino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254686
2-N-(4-chloro-2-methylphenyl)pyrazine-2,6-diamine
CID 80648132
4-N-(4-chloro-2-methylphenyl)-6-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22546140
N-(4-chloro-2-methylphenyl)pyrazin-2-amine
CID 118286926
6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114256687
5-(aminomethyl)-N-(4-chloro-2-methylphenyl)pyridin-2-amine
CID 82296151
4-N-(4-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 114256694
2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266433
N-benzyl-2-(4-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109256687

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-2-methylphenyl)pyrimidine-2,5-diamine?
The IUPAC name of 2-N-(4-chloro-2-methylphenyl)pyrimidine-2,5-diamine (CID 82290977) is 2-N-(4-chloro-2-methylphenyl)pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-(4-chloro-2-methylphenyl)pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-(4-chloro-2-methylphenyl)pyrimidine-2,5-diamine is Cc1cc(Cl)ccc1Nc1ncc(N)cn1.
What is the InChIKey of 2-N-(4-chloro-2-methylphenyl)pyrimidine-2,5-diamine?
The InChIKey is PFQIZBHXNGADPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c1-7-4-8(12)2-3-10(7)16-11-14-5-9(13)6-15-11/h2-6H,13H2,1H3,(H,14,15,16).
What are the key properties of 2-N-(4-chloro-2-methylphenyl)pyrimidine-2,5-diamine?
2-N-(4-chloro-2-methylphenyl)pyrimidine-2,5-diamine has a molecular weight of 234.69 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-2-methylphenyl)pyrimidine-2,5-diamine is sourced from PubChem (CID 82290977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).