(6R)-4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C18H25N5O3 — CID 97127617

IUPAC(6R)-4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)c2cnc(C3CC3)[nH]c2=O)C[C@@]12CCNC(=O)CC2
InChIInChI=1S/C18H25N5O3/c1-22-8-9-23(11-18(22)5-4-14(24)19-7-6-18)17(26)13-10-20-15(12-2-3-12)21-16(13)25/h10,12H,2-9,11H2,1H3,(H,19,24)(H,20,21,25)/t18-/m1/s1
InChIKeyLLIIIBCMSDJCJP-GOSISDBHSA-N
MW359.43 g/mol
LogP0.07
Rot. Bonds2

About (6R)-4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

(6R)-4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97127617) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is (6R)-4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6R)-4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97127617
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name(6R)-4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)c2cnc(C3CC3)[nH]c2=O)C[C@@]12CCNC(=O)CC2
InChIInChI=1S/C18H25N5O3/c1-22-8-9-23(11-18(22)5-4-14(24)19-7-6-18)17(26)13-10-20-15(12-2-3-12)21-16(13)25/h10,12H,2-9,11H2,1H3,(H,19,24)(H,20,21,25)/t18-/m1/s1
InChIKeyLLIIIBCMSDJCJP-GOSISDBHSA-N
XLogP0.07
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6R)-4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one 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 (6R)-4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6R)-4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97127617) is (6R)-4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6R)-4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6R)-4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCN(C(=O)c2cnc(C3CC3)[nH]c2=O)C[C@@]12CCNC(=O)CC2.
What is the InChIKey of (6R)-4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is LLIIIBCMSDJCJP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-22-8-9-23(11-18(22)5-4-14(24)19-7-6-18)17(26)13-10-20-15(12-2-3-12)21-16(13)25/h10,12H,2-9,11H2,1H3,(H,19,24)(H,20,21,25)/t18-/m1/s1.
What are the key properties of (6R)-4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6R)-4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 359.43 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97127617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).