3-[6-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine

C13H15N7 — CID 45486163

IUPAC3-[6-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCC(C)Nc1cc(-c2c(N)nn3cccnc23)ncn1
InChIInChI=1S/C13H15N7/c1-8(2)18-10-6-9(16-7-17-10)11-12(14)19-20-5-3-4-15-13(11)20/h3-8H,1-2H3,(H2,14,19)(H,16,17,18)
InChIKeyFORJSACMWZCLAC-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.59
Rot. Bonds3

About 3-[6-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine

3-[6-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 45486163) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-[6-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-[6-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID45486163
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name3-[6-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCC(C)Nc1cc(-c2c(N)nn3cccnc23)ncn1
InChIInChI=1S/C13H15N7/c1-8(2)18-10-6-9(16-7-17-10)11-12(14)19-20-5-3-4-15-13(11)20/h3-8H,1-2H3,(H2,14,19)(H,16,17,18)
InChIKeyFORJSACMWZCLAC-UHFFFAOYSA-N
XLogP1.59
TPSA94.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-[6-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine (CID 45486163) is 3-[6-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-[6-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-[6-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine is CC(C)Nc1cc(-c2c(N)nn3cccnc23)ncn1.
What is the InChIKey of 3-[6-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is FORJSACMWZCLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-8(2)18-10-6-9(16-7-17-10)11-12(14)19-20-5-3-4-15-13(11)20/h3-8H,1-2H3,(H2,14,19)(H,16,17,18).
What are the key properties of 3-[6-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine?
3-[6-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 269.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(propan-2-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 45486163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).