6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidin-4-amine

C13H17N5 — CID 72912212

IUPAC6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidin-4-amine
SMILESCc1cc(CNc2cc(C3CC3)ncn2)n(C)n1
InChIInChI=1S/C13H17N5/c1-9-5-11(18(2)17-9)7-14-13-6-12(10-3-4-10)15-8-16-13/h5-6,8,10H,3-4,7H2,1-2H3,(H,14,15,16)
InChIKeyWRRNDZCUCFQSSR-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.01
Rot. Bonds4

About 6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidin-4-amine

6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 72912212) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID72912212
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidin-4-amine
SMILESCc1cc(CNc2cc(C3CC3)ncn2)n(C)n1
InChIInChI=1S/C13H17N5/c1-9-5-11(18(2)17-9)7-14-13-6-12(10-3-4-10)15-8-16-13/h5-6,8,10H,3-4,7H2,1-2H3,(H,14,15,16)
InChIKeyWRRNDZCUCFQSSR-UHFFFAOYSA-N
XLogP2.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidin-4-amine (CID 72912212) is 6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidin-4-amine is Cc1cc(CNc2cc(C3CC3)ncn2)n(C)n1.
What is the InChIKey of 6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is WRRNDZCUCFQSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-9-5-11(18(2)17-9)7-14-13-6-12(10-3-4-10)15-8-16-13/h5-6,8,10H,3-4,7H2,1-2H3,(H,14,15,16).
What are the key properties of 6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidin-4-amine?
6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 72912212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).