4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine

C15H16N6 — CID 53201998

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
SMILESCc1cc(C)n(-c2ccnc(NCc3ccccn3)n2)n1
InChIInChI=1S/C15H16N6/c1-11-9-12(2)21(20-11)14-6-8-17-15(19-14)18-10-13-5-3-4-7-16-13/h3-9H,10H2,1-2H3,(H,17,18,19)
InChIKeyDZYKKYUDUDOXCS-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.29
Rot. Bonds4

About 4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine

4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine (PubChem CID 53201998) has the molecular formula C15H16N6 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
PubChem CID53201998
Molecular FormulaC15H16N6
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
SMILESCc1cc(C)n(-c2ccnc(NCc3ccccn3)n2)n1
InChIInChI=1S/C15H16N6/c1-11-9-12(2)21(20-11)14-6-8-17-15(19-14)18-10-13-5-3-4-7-16-13/h3-9H,10H2,1-2H3,(H,17,18,19)
InChIKeyDZYKKYUDUDOXCS-UHFFFAOYSA-N
XLogP2.29
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine (CID 53201998) is 4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine is Cc1cc(C)n(-c2ccnc(NCc3ccccn3)n2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is DZYKKYUDUDOXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-11-9-12(2)21(20-11)14-6-8-17-15(19-14)18-10-13-5-3-4-7-16-13/h3-9H,10H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 280.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 53201998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).