(4-aminopyrimidin-5-yl)-[1-(cyclopropylmethyl)pyrazol-3-yl]methanone

C12H13N5O — CID 123957601

IUPAC(4-aminopyrimidin-5-yl)-[1-(cyclopropylmethyl)pyrazol-3-yl]methanone
SMILESNc1ncncc1C(=O)c1ccn(CC2CC2)n1
InChIInChI=1S/C12H13N5O/c13-12-9(5-14-7-15-12)11(18)10-3-4-17(16-10)6-8-1-2-8/h3-5,7-8H,1-2,6H2,(H2,13,14,15)
InChIKeyRSZSAELWVHUWJI-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.90
Rot. Bonds4

About (4-aminopyrimidin-5-yl)-[1-(cyclopropylmethyl)pyrazol-3-yl]methanone

(4-aminopyrimidin-5-yl)-[1-(cyclopropylmethyl)pyrazol-3-yl]methanone (PubChem CID 123957601) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is (4-aminopyrimidin-5-yl)-[1-(cyclopropylmethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(4-aminopyrimidin-5-yl)-[1-(cyclopropylmethyl)pyrazol-3-yl]methanone
PubChem CID123957601
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name(4-aminopyrimidin-5-yl)-[1-(cyclopropylmethyl)pyrazol-3-yl]methanone
SMILESNc1ncncc1C(=O)c1ccn(CC2CC2)n1
InChIInChI=1S/C12H13N5O/c13-12-9(5-14-7-15-12)11(18)10-3-4-17(16-10)6-8-1-2-8/h3-5,7-8H,1-2,6H2,(H2,13,14,15)
InChIKeyRSZSAELWVHUWJI-UHFFFAOYSA-N
XLogP0.90
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-aminopyrimidin-5-yl)-[1-(cyclopropylmethyl)pyrazol-3-yl]methanone?
The IUPAC name of (4-aminopyrimidin-5-yl)-[1-(cyclopropylmethyl)pyrazol-3-yl]methanone (CID 123957601) is (4-aminopyrimidin-5-yl)-[1-(cyclopropylmethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for (4-aminopyrimidin-5-yl)-[1-(cyclopropylmethyl)pyrazol-3-yl]methanone?
The canonical SMILES for (4-aminopyrimidin-5-yl)-[1-(cyclopropylmethyl)pyrazol-3-yl]methanone is Nc1ncncc1C(=O)c1ccn(CC2CC2)n1.
What is the InChIKey of (4-aminopyrimidin-5-yl)-[1-(cyclopropylmethyl)pyrazol-3-yl]methanone?
The InChIKey is RSZSAELWVHUWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c13-12-9(5-14-7-15-12)11(18)10-3-4-17(16-10)6-8-1-2-8/h3-5,7-8H,1-2,6H2,(H2,13,14,15).
What are the key properties of (4-aminopyrimidin-5-yl)-[1-(cyclopropylmethyl)pyrazol-3-yl]methanone?
(4-aminopyrimidin-5-yl)-[1-(cyclopropylmethyl)pyrazol-3-yl]methanone has a molecular weight of 243.27 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopyrimidin-5-yl)-[1-(cyclopropylmethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 123957601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).