4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine

C12H14N4 — CID 735909

IUPAC4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
SMILESCc1cc(C)nc(Nc2ccc(N)cc2)n1
InChIInChI=1S/C12H14N4/c1-8-7-9(2)15-12(14-8)16-11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKeySFVBOQCTJBQABR-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.42
Rot. Bonds2

About 4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine

4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine (PubChem CID 735909) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
PubChem CID735909
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
SMILESCc1cc(C)nc(Nc2ccc(N)cc2)n1
InChIInChI=1S/C12H14N4/c1-8-7-9(2)15-12(14-8)16-11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKeySFVBOQCTJBQABR-UHFFFAOYSA-N
XLogP2.42
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Sulfamethazine
CID 5327
Pyrimethanil
CID 91650
Cyprodinil
CID 86367
Mepanipyrim
CID 86296
Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
4,6-dimethyl-N-(4-nitrophenyl)pyrimidin-2-amine
CID 4427235
6-Methyl-5-phenyl-2,4-pyrimidinediamine
CID 72565
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
4-N-ethyl-6-N,1,2-trimethyl-4-N-phenylpyrimidin-1-ium-4,6-diamine;chloride
CID 9796088
s-Triazine, 2-amino-4-anilino-6-methyl-
CID 23908
1-(4,6-Dimethyl-2-pyrimidinyl)-3-phenylguanidine
CID 9570316
N-(2-bromophenyl)-4,6-dimethyl-2-pyrimidinamine
CID 655149

Frequently Asked Questions

What is the IUPAC name of 4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine (CID 735909) is 4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine is Cc1cc(C)nc(Nc2ccc(N)cc2)n1.
What is the InChIKey of 4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine?
The InChIKey is SFVBOQCTJBQABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-8-7-9(2)15-12(14-8)16-11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16).
What are the key properties of 4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine?
4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine has a molecular weight of 214.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 735909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).