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

C10H13N5 — CID 46987126

IUPAC4-(1,3-dimethylpyrazol-4-yl)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2cn(C)nc2C)n1
InChIInChI=1S/C10H13N5/c1-7-8(6-15(3)14-7)9-4-5-12-10(11-2)13-9/h4-6H,1-3H3,(H,11,12,13)
InChIKeyDWFZZWWLNZDDCG-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.23
Rot. Bonds2

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

4-(1,3-dimethylpyrazol-4-yl)-N-methylpyrimidin-2-amine (PubChem CID 46987126) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazol-4-yl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazol-4-yl)-N-methylpyrimidin-2-amine
PubChem CID46987126
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name4-(1,3-dimethylpyrazol-4-yl)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2cn(C)nc2C)n1
InChIInChI=1S/C10H13N5/c1-7-8(6-15(3)14-7)9-4-5-12-10(11-2)13-9/h4-6H,1-3H3,(H,11,12,13)
InChIKeyDWFZZWWLNZDDCG-UHFFFAOYSA-N
XLogP1.23
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-methylpyrimidin-2-amine (CID 46987126) is 4-(1,3-dimethylpyrazol-4-yl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(1,3-dimethylpyrazol-4-yl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(1,3-dimethylpyrazol-4-yl)-N-methylpyrimidin-2-amine is CNc1nccc(-c2cn(C)nc2C)n1.
What is the InChIKey of 4-(1,3-dimethylpyrazol-4-yl)-N-methylpyrimidin-2-amine?
The InChIKey is DWFZZWWLNZDDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-7-8(6-15(3)14-7)9-4-5-12-10(11-2)13-9/h4-6H,1-3H3,(H,11,12,13).
What are the key properties of 4-(1,3-dimethylpyrazol-4-yl)-N-methylpyrimidin-2-amine?
4-(1,3-dimethylpyrazol-4-yl)-N-methylpyrimidin-2-amine has a molecular weight of 203.25 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylpyrazol-4-yl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 46987126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).