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

C17H18N6O — CID 3106990

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine
SMILESCOc1ccc(C=NNc2cc(-n3nc(C)cc3C)ncn2)cc1
InChIInChI=1S/C17H18N6O/c1-12-8-13(2)23(22-12)17-9-16(18-11-19-17)21-20-10-14-4-6-15(24-3)7-5-14/h4-11H,1-3H3,(H,18,19,21)
InChIKeyMLPUDLRFPNHTFJ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.73
Rot. Bonds5

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

6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine (PubChem CID 3106990) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine
PubChem CID3106990
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine
SMILESCOc1ccc(C=NNc2cc(-n3nc(C)cc3C)ncn2)cc1
InChIInChI=1S/C17H18N6O/c1-12-8-13(2)23(22-12)17-9-16(18-11-19-17)21-20-10-14-4-6-15(24-3)7-5-14/h4-11H,1-3H3,(H,18,19,21)
InChIKeyMLPUDLRFPNHTFJ-UHFFFAOYSA-N
XLogP2.73
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylpyrimidin-4-amine
CID 5338791
6-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,2,4,5-tetrazin-3-amine
CID 170855926
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 155975164
6-(3,5-dimethylpyrazol-1-yl)-N-[(2-nitrophenyl)methylideneamino]pyrimidin-4-amine
CID 3107003
6-(5-amino-3-methylpyrazol-1-yl)-N-(4-methoxyphenyl)pyrimidin-4-amine
CID 100641017
6-(3-methyl-5-phenylpyrazol-1-yl)-N-(pyridin-3-ylmethylideneamino)pyrimidin-4-amine
CID 3133614
3-N,5-N-bis[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-3,5-diamine
CID 53357332
N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-1-(4-methoxyphenyl)methanimine
CID 4072667
N-[(E)-(4-chlorophenyl)methylideneamino]-6-methylpyrimidin-4-amine
CID 21237326
2-bromo-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-5-methoxybenzamide
CID 122289690
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenylhydrazine
CID 3091883
2-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 135498029

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine (CID 3106990) is 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine is COc1ccc(C=NNc2cc(-n3nc(C)cc3C)ncn2)cc1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine?
The InChIKey is MLPUDLRFPNHTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-12-8-13(2)23(22-12)17-9-16(18-11-19-17)21-20-10-14-4-6-15(24-3)7-5-14/h4-11H,1-3H3,(H,18,19,21).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine has a molecular weight of 322.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine is sourced from PubChem (CID 3106990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).