4-N-(3-methylphenyl)pyrimidine-4,5-diamine

C11H12N4 — CID 79918947

IUPAC4-N-(3-methylphenyl)pyrimidine-4,5-diamine
SMILESCc1cccc(Nc2ncncc2N)c1
InChIInChI=1S/C11H12N4/c1-8-3-2-4-9(5-8)15-11-10(12)6-13-7-14-11/h2-7H,12H2,1H3,(H,13,14,15)
InChIKeyYRRUDPDRMFJJIG-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.11
Rot. Bonds2

About 4-N-(3-methylphenyl)pyrimidine-4,5-diamine

4-N-(3-methylphenyl)pyrimidine-4,5-diamine (PubChem CID 79918947) has the molecular formula C11H12N4 and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-N-(3-methylphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-methylphenyl)pyrimidine-4,5-diamine
PubChem CID79918947
Molecular FormulaC11H12N4
Molecular Weight200.24 g/mol
Exact Mass200.11
IUPAC Name4-N-(3-methylphenyl)pyrimidine-4,5-diamine
SMILESCc1cccc(Nc2ncncc2N)c1
InChIInChI=1S/C11H12N4/c1-8-3-2-4-9(5-8)15-11-10(12)6-13-7-14-11/h2-7H,12H2,1H3,(H,13,14,15)
InChIKeyYRRUDPDRMFJJIG-UHFFFAOYSA-N
XLogP2.11
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-N-(3-methylphenyl)pyridine-2,3-diamine
CID 79021710
4-N-(3-ethoxyphenyl)pyrimidine-4,5-diamine
CID 79917337
4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148233
4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546235
4-N-naphthalen-2-ylpyrimidine-4,5-diamine
CID 79917712
6-N-(4-chlorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148236
4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine
CID 79915945
4-N-pyrimidin-5-ylpyrimidine-4,5-diamine
CID 83618947
acetylene;6-chloro-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 142993577
5-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80754890
4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147077
6-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 63735421

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3-methylphenyl)pyrimidine-4,5-diamine (CID 79918947) is 4-N-(3-methylphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3-methylphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3-methylphenyl)pyrimidine-4,5-diamine is Cc1cccc(Nc2ncncc2N)c1.
What is the InChIKey of 4-N-(3-methylphenyl)pyrimidine-4,5-diamine?
The InChIKey is YRRUDPDRMFJJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-8-3-2-4-9(5-8)15-11-10(12)6-13-7-14-11/h2-7H,12H2,1H3,(H,13,14,15).
What are the key properties of 4-N-(3-methylphenyl)pyrimidine-4,5-diamine?
4-N-(3-methylphenyl)pyrimidine-4,5-diamine has a molecular weight of 200.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 79918947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).