2-amino-4-cyclobutyloxy-N-(1-methylpyrazol-3-yl)pyrimidine-5-carboxamide

C13H16N6O2 — CID 155437299

IUPAC2-amino-4-cyclobutyloxy-N-(1-methylpyrazol-3-yl)pyrimidine-5-carboxamide
SMILESCn1ccc(NC(=O)c2cnc(N)nc2OC2CCC2)n1
InChIInChI=1S/C13H16N6O2/c1-19-6-5-10(18-19)16-11(20)9-7-15-13(14)17-12(9)21-8-3-2-4-8/h5-8H,2-4H2,1H3,(H2,14,15,17)(H,16,18,20)
InChIKeyWSUKGKMMTFFJCN-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.98
Rot. Bonds4

About 2-amino-4-cyclobutyloxy-N-(1-methylpyrazol-3-yl)pyrimidine-5-carboxamide

2-amino-4-cyclobutyloxy-N-(1-methylpyrazol-3-yl)pyrimidine-5-carboxamide (PubChem CID 155437299) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-amino-4-cyclobutyloxy-N-(1-methylpyrazol-3-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-cyclobutyloxy-N-(1-methylpyrazol-3-yl)pyrimidine-5-carboxamide
PubChem CID155437299
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name2-amino-4-cyclobutyloxy-N-(1-methylpyrazol-3-yl)pyrimidine-5-carboxamide
SMILESCn1ccc(NC(=O)c2cnc(N)nc2OC2CCC2)n1
InChIInChI=1S/C13H16N6O2/c1-19-6-5-10(18-19)16-11(20)9-7-15-13(14)17-12(9)21-8-3-2-4-8/h5-8H,2-4H2,1H3,(H2,14,15,17)(H,16,18,20)
InChIKeyWSUKGKMMTFFJCN-UHFFFAOYSA-N
XLogP0.98
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclobutyloxy-N-(1-methylpyrazol-3-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-cyclobutyloxy-N-(1-methylpyrazol-3-yl)pyrimidine-5-carboxamide (CID 155437299) is 2-amino-4-cyclobutyloxy-N-(1-methylpyrazol-3-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-cyclobutyloxy-N-(1-methylpyrazol-3-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-cyclobutyloxy-N-(1-methylpyrazol-3-yl)pyrimidine-5-carboxamide is Cn1ccc(NC(=O)c2cnc(N)nc2OC2CCC2)n1.
What is the InChIKey of 2-amino-4-cyclobutyloxy-N-(1-methylpyrazol-3-yl)pyrimidine-5-carboxamide?
The InChIKey is WSUKGKMMTFFJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-19-6-5-10(18-19)16-11(20)9-7-15-13(14)17-12(9)21-8-3-2-4-8/h5-8H,2-4H2,1H3,(H2,14,15,17)(H,16,18,20).
What are the key properties of 2-amino-4-cyclobutyloxy-N-(1-methylpyrazol-3-yl)pyrimidine-5-carboxamide?
2-amino-4-cyclobutyloxy-N-(1-methylpyrazol-3-yl)pyrimidine-5-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclobutyloxy-N-(1-methylpyrazol-3-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 155437299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).