6-(3-methyl-5-phenylpyrazol-1-yl)-N-(pyridin-3-ylmethylideneamino)pyrimidin-4-amine

C20H17N7 — CID 3133614

IUPAC6-(3-methyl-5-phenylpyrazol-1-yl)-N-(pyridin-3-ylmethylideneamino)pyrimidin-4-amine
SMILESCc1cc(-c2ccccc2)n(-c2cc(NN=Cc3cccnc3)ncn2)n1
InChIInChI=1S/C20H17N7/c1-15-10-18(17-7-3-2-4-8-17)27(26-15)20-11-19(22-14-23-20)25-24-13-16-6-5-9-21-12-16/h2-14H,1H3,(H,22,23,25)
InChIKeyDGPYTWZYBHQNIX-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.48
Rot. Bonds5

About 6-(3-methyl-5-phenylpyrazol-1-yl)-N-(pyridin-3-ylmethylideneamino)pyrimidin-4-amine

6-(3-methyl-5-phenylpyrazol-1-yl)-N-(pyridin-3-ylmethylideneamino)pyrimidin-4-amine (PubChem CID 3133614) has the molecular formula C20H17N7 and a molecular weight of 355.41 g/mol. Its IUPAC name is 6-(3-methyl-5-phenylpyrazol-1-yl)-N-(pyridin-3-ylmethylideneamino)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methyl-5-phenylpyrazol-1-yl)-N-(pyridin-3-ylmethylideneamino)pyrimidin-4-amine
PubChem CID3133614
Molecular FormulaC20H17N7
Molecular Weight355.41 g/mol
Exact Mass355.15
IUPAC Name6-(3-methyl-5-phenylpyrazol-1-yl)-N-(pyridin-3-ylmethylideneamino)pyrimidin-4-amine
SMILESCc1cc(-c2ccccc2)n(-c2cc(NN=Cc3cccnc3)ncn2)n1
InChIInChI=1S/C20H17N7/c1-15-10-18(17-7-3-2-4-8-17)27(26-15)20-11-19(22-14-23-20)25-24-13-16-6-5-9-21-12-16/h2-14H,1H3,(H,22,23,25)
InChIKeyDGPYTWZYBHQNIX-UHFFFAOYSA-N
XLogP3.48
TPSA80.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.48
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

2-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 135498029
N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine
CID 3365524
6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine
CID 3106990
6-(3,5-dimethylpyrazol-1-yl)-N-[(2-nitrophenyl)methylideneamino]pyrimidin-4-amine
CID 3107003
N-[(Z)-pyridin-3-ylmethylideneamino]aniline
CID 5375484
4-(3-methyl-5-phenylpyrazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 1069507
N-(benzylideneamino)-6-morpholin-4-ylpyrimidin-4-amine
CID 3091834
N-[(E)-(3-fluorophenyl)methylideneamino]-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine
CID 5332841
2-[(E)-C-[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]carbonohydrazonoyl]phenol
CID 135801864
4-methyl-N-(pyridin-3-ylmethylideneamino)aniline
CID 5175441
N-[(E)-pyridin-3-ylmethylideneamino]pyridazin-3-amine
CID 167776981
4-(3-methyl-5-phenylpyrazol-1-yl)pyridine
CID 12069784

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-5-phenylpyrazol-1-yl)-N-(pyridin-3-ylmethylideneamino)pyrimidin-4-amine?
The IUPAC name of 6-(3-methyl-5-phenylpyrazol-1-yl)-N-(pyridin-3-ylmethylideneamino)pyrimidin-4-amine (CID 3133614) is 6-(3-methyl-5-phenylpyrazol-1-yl)-N-(pyridin-3-ylmethylideneamino)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-methyl-5-phenylpyrazol-1-yl)-N-(pyridin-3-ylmethylideneamino)pyrimidin-4-amine?
The canonical SMILES for 6-(3-methyl-5-phenylpyrazol-1-yl)-N-(pyridin-3-ylmethylideneamino)pyrimidin-4-amine is Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3cccnc3)ncn2)n1.
What is the InChIKey of 6-(3-methyl-5-phenylpyrazol-1-yl)-N-(pyridin-3-ylmethylideneamino)pyrimidin-4-amine?
The InChIKey is DGPYTWZYBHQNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7/c1-15-10-18(17-7-3-2-4-8-17)27(26-15)20-11-19(22-14-23-20)25-24-13-16-6-5-9-21-12-16/h2-14H,1H3,(H,22,23,25).
What are the key properties of 6-(3-methyl-5-phenylpyrazol-1-yl)-N-(pyridin-3-ylmethylideneamino)pyrimidin-4-amine?
6-(3-methyl-5-phenylpyrazol-1-yl)-N-(pyridin-3-ylmethylideneamino)pyrimidin-4-amine has a molecular weight of 355.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-5-phenylpyrazol-1-yl)-N-(pyridin-3-ylmethylideneamino)pyrimidin-4-amine is sourced from PubChem (CID 3133614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).