4-(1,3-dimethylpyrazol-4-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine

C16H21N7 — CID 46983041

IUPAC4-(1,3-dimethylpyrazol-4-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine
SMILESCc1nn(C)cc1CN(C)c1nccc(-c2cn(C)nc2C)n1
InChIInChI=1S/C16H21N7/c1-11-13(9-22(4)19-11)8-21(3)16-17-7-6-15(18-16)14-10-23(5)20-12(14)2/h6-7,9-10H,8H2,1-5H3
InChIKeyANHZIEVXYUNLIB-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.86
Rot. Bonds4

About 4-(1,3-dimethylpyrazol-4-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine

4-(1,3-dimethylpyrazol-4-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine (PubChem CID 46983041) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazol-4-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazol-4-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine
PubChem CID46983041
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name4-(1,3-dimethylpyrazol-4-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine
SMILESCc1nn(C)cc1CN(C)c1nccc(-c2cn(C)nc2C)n1
InChIInChI=1S/C16H21N7/c1-11-13(9-22(4)19-11)8-21(3)16-17-7-6-15(18-16)14-10-23(5)20-12(14)2/h6-7,9-10H,8H2,1-5H3
InChIKeyANHZIEVXYUNLIB-UHFFFAOYSA-N
XLogP1.86
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine (CID 46983041) is 4-(1,3-dimethylpyrazol-4-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(1,3-dimethylpyrazol-4-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(1,3-dimethylpyrazol-4-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine is Cc1nn(C)cc1CN(C)c1nccc(-c2cn(C)nc2C)n1.
What is the InChIKey of 4-(1,3-dimethylpyrazol-4-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine?
The InChIKey is ANHZIEVXYUNLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7/c1-11-13(9-22(4)19-11)8-21(3)16-17-7-6-15(18-16)14-10-23(5)20-12(14)2/h6-7,9-10H,8H2,1-5H3.
What are the key properties of 4-(1,3-dimethylpyrazol-4-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine?
4-(1,3-dimethylpyrazol-4-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine has a molecular weight of 311.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylpyrazol-4-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 46983041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).