4-N-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)benzene-1,4-diamine

C14H14N6 — CID 99980122

IUPAC4-N-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)benzene-1,4-diamine
SMILESCc1nc(Nc2ccc(N)cc2)cc(-n2cccn2)n1
InChIInChI=1S/C14H14N6/c1-10-17-13(19-12-5-3-11(15)4-6-12)9-14(18-10)20-8-2-7-16-20/h2-9H,15H2,1H3,(H,17,18,19)
InChIKeyOYMOYVYAVUDNNK-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.30
Rot. Bonds3

About 4-N-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)benzene-1,4-diamine

4-N-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)benzene-1,4-diamine (PubChem CID 99980122) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 4-N-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)benzene-1,4-diamine
PubChem CID99980122
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name4-N-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)benzene-1,4-diamine
SMILESCc1nc(Nc2ccc(N)cc2)cc(-n2cccn2)n1
InChIInChI=1S/C14H14N6/c1-10-17-13(19-12-5-3-11(15)4-6-12)9-14(18-10)20-8-2-7-16-20/h2-9H,15H2,1H3,(H,17,18,19)
InChIKeyOYMOYVYAVUDNNK-UHFFFAOYSA-N
XLogP2.30
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylurea
CID 121072953
N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 121072741
2,2-dimethyl-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 121072744
N-(3-fluorophenyl)-2-methyl-6-pyrazol-1-ylpyrimidin-4-amine
CID 796103
4-cyano-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 122290401
2-iodo-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 121072850
1-(4-ethoxyphenyl)-3-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 121072973
4-methoxy-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 121072880
1-(2,3-dimethylphenyl)-3-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 121072972
3-chloro-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 121072896
N-(4-methylphenyl)-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine
CID 796113
2,4-dichloro-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 121072769

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)benzene-1,4-diamine (CID 99980122) is 4-N-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)benzene-1,4-diamine is Cc1nc(Nc2ccc(N)cc2)cc(-n2cccn2)n1.
What is the InChIKey of 4-N-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)benzene-1,4-diamine?
The InChIKey is OYMOYVYAVUDNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c1-10-17-13(19-12-5-3-11(15)4-6-12)9-14(18-10)20-8-2-7-16-20/h2-9H,15H2,1H3,(H,17,18,19).
What are the key properties of 4-N-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)benzene-1,4-diamine?
4-N-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)benzene-1,4-diamine has a molecular weight of 266.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 99980122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).