6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine

C17H19N5 — CID 50830713

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
SMILESCc1ccc(CNc2cc(-n3nc(C)cc3C)ncn2)cc1
InChIInChI=1S/C17H19N5/c1-12-4-6-15(7-5-12)10-18-16-9-17(20-11-19-16)22-14(3)8-13(2)21-22/h4-9,11H,10H2,1-3H3,(H,18,19,20)
InChIKeyROPJWWSDDLUFIL-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.20
Rot. Bonds4

About 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine

6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine (PubChem CID 50830713) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
PubChem CID50830713
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
SMILESCc1ccc(CNc2cc(-n3nc(C)cc3C)ncn2)cc1
InChIInChI=1S/C17H19N5/c1-12-4-6-15(7-5-12)10-18-16-9-17(20-11-19-16)22-14(3)8-13(2)21-22/h4-9,11H,10H2,1-3H3,(H,18,19,20)
InChIKeyROPJWWSDDLUFIL-UHFFFAOYSA-N
XLogP3.20
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 53015129
6-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 53015130
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 155975164
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)methanamine
CID 47052510
N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859172
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-phenylacetamide
CID 56699991
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenylhydrazine
CID 3091883
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-3,5-dimethylbenzamide
CID 121072405
4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenoxy)pyrimidine
CID 850309
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859178
4-bromo-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 121072647
6-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 50830645

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine (CID 50830713) is 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine is Cc1ccc(CNc2cc(-n3nc(C)cc3C)ncn2)cc1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is ROPJWWSDDLUFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-12-4-6-15(7-5-12)10-18-16-9-17(20-11-19-16)22-14(3)8-13(2)21-22/h4-9,11H,10H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 293.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 50830713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).