1-methyl-4-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

C17H25N5O3 — CID 72880943

IUPAC1-methyl-4-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1ncc(CC(=O)N2CCN(C)C3(CCNC(=O)CC3)C2)c(=O)[nH]1
InChIInChI=1S/C17H25N5O3/c1-12-19-10-13(16(25)20-12)9-15(24)22-8-7-21(2)17(11-22)4-3-14(23)18-6-5-17/h10H,3-9,11H2,1-2H3,(H,18,23)(H,19,20,25)
InChIKeyGYVTXTWZXDUPKH-UHFFFAOYSA-N
MW347.42 g/mol
LogP-0.57
Rot. Bonds2

About 1-methyl-4-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

1-methyl-4-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72880943) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-methyl-4-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name1-methyl-4-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72880943
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name1-methyl-4-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1ncc(CC(=O)N2CCN(C)C3(CCNC(=O)CC3)C2)c(=O)[nH]1
InChIInChI=1S/C17H25N5O3/c1-12-19-10-13(16(25)20-12)9-15(24)22-8-7-21(2)17(11-22)4-3-14(23)18-6-5-17/h10H,3-9,11H2,1-2H3,(H,18,23)(H,19,20,25)
InChIKeyGYVTXTWZXDUPKH-UHFFFAOYSA-N
XLogP-0.57
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-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

Related Compounds

5-{2-[(1R*,5R*)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]non-3-yl]-2-oxoethyl}-2-methyl-4(3H)-pyrimidinone
CID 133138353
5-[2-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
CID 70721718
N-methyl-2-(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)-N-{[1-(1-piperidinyl)cyclohexyl]methyl}acetamide
CID 56895384
(1S*,5R*)-6-(cyclobutylmethyl)-3-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70724817
3-[(4-Hydroxy-2-methylpyrimidin-5-yl)carbonyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 72839361
1-Methyl-4-[(6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72866658
4-[(2-Cyclopropyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72878666
1-Methyl-4-[(6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72934261
(6S)-1-methyl-4-(6-oxo-1H-pyrimidine-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97122087
(6R)-1-methyl-4-(6-oxo-1H-pyrimidine-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97122088
(6S)-4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97127616
(6R)-4-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97127617

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 1-methyl-4-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72880943) is 1-methyl-4-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 1-methyl-4-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 1-methyl-4-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is Cc1ncc(CC(=O)N2CCN(C)C3(CCNC(=O)CC3)C2)c(=O)[nH]1.
What is the InChIKey of 1-methyl-4-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is GYVTXTWZXDUPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-12-19-10-13(16(25)20-12)9-15(24)22-8-7-21(2)17(11-22)4-3-14(23)18-6-5-17/h10H,3-9,11H2,1-2H3,(H,18,23)(H,19,20,25).
What are the key properties of 1-methyl-4-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
1-methyl-4-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 347.42 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72880943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).