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

C13H15ClN4 — CID 114043611

IUPAC2-chloro-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,5-diamine
SMILESCc1ccccc1CN(C)c1nc(Cl)ncc1N
InChIInChI=1S/C13H15ClN4/c1-9-5-3-4-6-10(9)8-18(2)12-11(15)7-16-13(14)17-12/h3-7H,8,15H2,1-2H3
InChIKeyJHDRXVZBNBATHV-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.66
Rot. Bonds3

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

2-chloro-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,5-diamine (PubChem CID 114043611) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-chloro-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,5-diamine
PubChem CID114043611
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name2-chloro-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,5-diamine
SMILESCc1ccccc1CN(C)c1nc(Cl)ncc1N
InChIInChI=1S/C13H15ClN4/c1-9-5-3-4-6-10(9)8-18(2)12-11(15)7-16-13(14)17-12/h3-7H,8,15H2,1-2H3
InChIKeyJHDRXVZBNBATHV-UHFFFAOYSA-N
XLogP2.66
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-6-N-methyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-diamine
CID 102756512
4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-3,4-diamine
CID 103962894
2-chloro-4-N-methyl-4-N-prop-2-enylpyrimidine-4,5-diamine
CID 131091784
5-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]pyridin-2-amine
CID 80629685
4-N-methyl-4-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747324
3,5-dichloro-6-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyridin-2-amine
CID 102761719
2-chloro-N,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 62481777
5-fluoro-2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80899397
5-amino-2-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxamide
CID 61359375
5-fluoro-2-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80794294
4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 28894681
3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-2-amine
CID 62289541

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,5-diamine (CID 114043611) is 2-chloro-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,5-diamine is Cc1ccccc1CN(C)c1nc(Cl)ncc1N.
What is the InChIKey of 2-chloro-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,5-diamine?
The InChIKey is JHDRXVZBNBATHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-9-5-3-4-6-10(9)8-18(2)12-11(15)7-16-13(14)17-12/h3-7H,8,15H2,1-2H3.
What are the key properties of 2-chloro-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,5-diamine?
2-chloro-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,5-diamine has a molecular weight of 262.74 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 114043611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).