N-methyl-6-[3-methyl-5-(2-methylanilino)pyrazol-1-yl]pyrimidin-4-amine

C16H18N6 — CID 141200724

IUPACN-methyl-6-[3-methyl-5-(2-methylanilino)pyrazol-1-yl]pyrimidin-4-amine
SMILESCNc1cc(-n2nc(C)cc2Nc2ccccc2C)ncn1
InChIInChI=1S/C16H18N6/c1-11-6-4-5-7-13(11)20-16-8-12(2)21-22(16)15-9-14(17-3)18-10-19-15/h4-10,20H,1-3H3,(H,17,18,19)
InChIKeyBMHSPGFQQGBGKD-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.06
Rot. Bonds4

About N-methyl-6-[3-methyl-5-(2-methylanilino)pyrazol-1-yl]pyrimidin-4-amine

N-methyl-6-[3-methyl-5-(2-methylanilino)pyrazol-1-yl]pyrimidin-4-amine (PubChem CID 141200724) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-methyl-6-[3-methyl-5-(2-methylanilino)pyrazol-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[3-methyl-5-(2-methylanilino)pyrazol-1-yl]pyrimidin-4-amine
PubChem CID141200724
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC NameN-methyl-6-[3-methyl-5-(2-methylanilino)pyrazol-1-yl]pyrimidin-4-amine
SMILESCNc1cc(-n2nc(C)cc2Nc2ccccc2C)ncn1
InChIInChI=1S/C16H18N6/c1-11-6-4-5-7-13(11)20-16-8-12(2)21-22(16)15-9-14(17-3)18-10-19-15/h4-10,20H,1-3H3,(H,17,18,19)
InChIKeyBMHSPGFQQGBGKD-UHFFFAOYSA-N
XLogP3.06
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]benzamide
CID 90719951
1-[3-(1,1-difluoroethyl)phenyl]-3-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]urea
CID 59173343
N-[2-(2-fluoropropan-2-yl)-4-pyridinyl]-4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]benzamide
CID 59173673
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]ethanone
CID 59173683
2,6-difluoro-3-methyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]benzamide
CID 166319718
4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
CID 112864815
3,3,3-trifluoro-2,2-dimethyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]propanamide
CID 146142868
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenylhydrazine
CID 3091883
5-methyl-6-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 25057281
N-[4-methyl-3-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]benzamide
CID 91211398
3-[1-(dimethylamino)ethyl]-N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]-5-(trifluoromethyl)benzamide
CID 68702675
3-[[tert-butyl(hydroxy)amino]methyl]-N-[4-methyl-3-[[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]-5-(trifluoromethyl)benzamide
CID 88536126

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[3-methyl-5-(2-methylanilino)pyrazol-1-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-6-[3-methyl-5-(2-methylanilino)pyrazol-1-yl]pyrimidin-4-amine (CID 141200724) is N-methyl-6-[3-methyl-5-(2-methylanilino)pyrazol-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[3-methyl-5-(2-methylanilino)pyrazol-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[3-methyl-5-(2-methylanilino)pyrazol-1-yl]pyrimidin-4-amine is CNc1cc(-n2nc(C)cc2Nc2ccccc2C)ncn1.
What is the InChIKey of N-methyl-6-[3-methyl-5-(2-methylanilino)pyrazol-1-yl]pyrimidin-4-amine?
The InChIKey is BMHSPGFQQGBGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-11-6-4-5-7-13(11)20-16-8-12(2)21-22(16)15-9-14(17-3)18-10-19-15/h4-10,20H,1-3H3,(H,17,18,19).
What are the key properties of N-methyl-6-[3-methyl-5-(2-methylanilino)pyrazol-1-yl]pyrimidin-4-amine?
N-methyl-6-[3-methyl-5-(2-methylanilino)pyrazol-1-yl]pyrimidin-4-amine has a molecular weight of 294.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[3-methyl-5-(2-methylanilino)pyrazol-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 141200724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).