5-methyl-4-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)pyrimidin-2-amine

C15H19N7 — CID 46990189

IUPAC5-methyl-4-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)pyrimidin-2-amine
SMILESCc1cnc(NCCCn2cccn2)nc1-c1cnn(C)c1
InChIInChI=1S/C15H19N7/c1-12-9-17-15(16-5-3-7-22-8-4-6-18-22)20-14(12)13-10-19-21(2)11-13/h4,6,8-11H,3,5,7H2,1-2H3,(H,16,17,20)
InChIKeySTCBRZPMBFWUSL-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.88
Rot. Bonds6

About 5-methyl-4-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)pyrimidin-2-amine

5-methyl-4-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)pyrimidin-2-amine (PubChem CID 46990189) has the molecular formula C15H19N7 and a molecular weight of 297.37 g/mol. Its IUPAC name is 5-methyl-4-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)pyrimidin-2-amine
PubChem CID46990189
Molecular FormulaC15H19N7
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name5-methyl-4-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)pyrimidin-2-amine
SMILESCc1cnc(NCCCn2cccn2)nc1-c1cnn(C)c1
InChIInChI=1S/C15H19N7/c1-12-9-17-15(16-5-3-7-22-8-4-6-18-22)20-14(12)13-10-19-21(2)11-13/h4,6,8-11H,3,5,7H2,1-2H3,(H,16,17,20)
InChIKeySTCBRZPMBFWUSL-UHFFFAOYSA-N
XLogP1.88
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5,6-diethyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-triazin-3-amine
CID 105362808
5-bromo-3-methyl-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
CID 112697448
N-(3-pyrazol-1-ylpropyl)pyrazin-2-amine
CID 115580003
4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 129086023
N-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 45207957
6-methyl-2-(3-pyrazol-1-ylpropylamino)pyrimidine-4-carbothioamide
CID 107548008
4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80799465
5-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
CID 31075568
ethyl 4-methyl-2-(2-pyrazol-1-ylethylamino)pyrimidine-5-carboxylate
CID 83179327
4-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)imidazol-2-amine
CID 106579674
3-bromo-4-methyl-2-N-(3-pyrazol-1-ylpropyl)pyridine-2,5-diamine
CID 113420539
N-(3-pyrazol-1-ylpropyl)pyridin-4-amine
CID 115669379

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-methyl-4-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)pyrimidin-2-amine (CID 46990189) is 5-methyl-4-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)pyrimidin-2-amine is Cc1cnc(NCCCn2cccn2)nc1-c1cnn(C)c1.
What is the InChIKey of 5-methyl-4-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)pyrimidin-2-amine?
The InChIKey is STCBRZPMBFWUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7/c1-12-9-17-15(16-5-3-7-22-8-4-6-18-22)20-14(12)13-10-19-21(2)11-13/h4,6,8-11H,3,5,7H2,1-2H3,(H,16,17,20).
What are the key properties of 5-methyl-4-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)pyrimidin-2-amine?
5-methyl-4-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)pyrimidin-2-amine has a molecular weight of 297.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 46990189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).