2-cyclopropyl-N-[3-[(2-methylpropan-2-yl)oxy]spiro[3.3]heptan-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide

C19H27N3O3 — CID 138038061

IUPAC2-cyclopropyl-N-[3-[(2-methylpropan-2-yl)oxy]spiro[3.3]heptan-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCC(C)(C)OC1CC(NC(=O)c2cnc(C3CC3)[nH]c2=O)C12CCC2
InChIInChI=1S/C19H27N3O3/c1-18(2,3)25-14-9-13(19(14)7-4-8-19)21-16(23)12-10-20-15(11-5-6-11)22-17(12)24/h10-11,13-14H,4-9H2,1-3H3,(H,21,23)(H,20,22,24)
InChIKeyQWUKGXJYJRDKGC-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.50
Rot. Bonds4

About 2-cyclopropyl-N-[3-[(2-methylpropan-2-yl)oxy]spiro[3.3]heptan-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide

2-cyclopropyl-N-[3-[(2-methylpropan-2-yl)oxy]spiro[3.3]heptan-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 138038061) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-[(2-methylpropan-2-yl)oxy]spiro[3.3]heptan-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[3-[(2-methylpropan-2-yl)oxy]spiro[3.3]heptan-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID138038061
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-cyclopropyl-N-[3-[(2-methylpropan-2-yl)oxy]spiro[3.3]heptan-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCC(C)(C)OC1CC(NC(=O)c2cnc(C3CC3)[nH]c2=O)C12CCC2
InChIInChI=1S/C19H27N3O3/c1-18(2,3)25-14-9-13(19(14)7-4-8-19)21-16(23)12-10-20-15(11-5-6-11)22-17(12)24/h10-11,13-14H,4-9H2,1-3H3,(H,21,23)(H,20,22,24)
InChIKeyQWUKGXJYJRDKGC-UHFFFAOYSA-N
XLogP2.50
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-N-[3-[(2-methylpropan-2-yl)oxy]spiro[3.3]heptan-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[3-[(2-methylpropan-2-yl)oxy]spiro[3.3]heptan-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[3-[(2-methylpropan-2-yl)oxy]spiro[3.3]heptan-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 138038061) is 2-cyclopropyl-N-[3-[(2-methylpropan-2-yl)oxy]spiro[3.3]heptan-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[3-[(2-methylpropan-2-yl)oxy]spiro[3.3]heptan-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[3-[(2-methylpropan-2-yl)oxy]spiro[3.3]heptan-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide is CC(C)(C)OC1CC(NC(=O)c2cnc(C3CC3)[nH]c2=O)C12CCC2.
What is the InChIKey of 2-cyclopropyl-N-[3-[(2-methylpropan-2-yl)oxy]spiro[3.3]heptan-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is QWUKGXJYJRDKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-18(2,3)25-14-9-13(19(14)7-4-8-19)21-16(23)12-10-20-15(11-5-6-11)22-17(12)24/h10-11,13-14H,4-9H2,1-3H3,(H,21,23)(H,20,22,24).
What are the key properties of 2-cyclopropyl-N-[3-[(2-methylpropan-2-yl)oxy]spiro[3.3]heptan-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-N-[3-[(2-methylpropan-2-yl)oxy]spiro[3.3]heptan-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[3-[(2-methylpropan-2-yl)oxy]spiro[3.3]heptan-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 138038061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).