7-methyl-3-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one

C16H23N5O3 — CID 72839361

IUPAC7-methyl-3-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
SMILESCc1ncc(C(=O)N2CCC3(CC2)C(=O)NCCCN3C)c(=O)[nH]1
InChIInChI=1S/C16H23N5O3/c1-11-18-10-12(13(22)19-11)14(23)21-8-4-16(5-9-21)15(24)17-6-3-7-20(16)2/h10H,3-9H2,1-2H3,(H,17,24)(H,18,19,22)
InChIKeyVIGJBQLYBJFPSI-UHFFFAOYSA-N
MW333.39 g/mol
LogP-0.50
Rot. Bonds1

About 7-methyl-3-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one

7-methyl-3-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one (PubChem CID 72839361) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 7-methyl-3-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one.

Molecular Properties

Compound Name7-methyl-3-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
PubChem CID72839361
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name7-methyl-3-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
SMILESCc1ncc(C(=O)N2CCC3(CC2)C(=O)NCCCN3C)c(=O)[nH]1
InChIInChI=1S/C16H23N5O3/c1-11-18-10-12(13(22)19-11)14(23)21-8-4-16(5-9-21)15(24)17-6-3-7-20(16)2/h10H,3-9H2,1-2H3,(H,17,24)(H,18,19,22)
InChIKeyVIGJBQLYBJFPSI-UHFFFAOYSA-N
XLogP-0.50
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1,9-dimethyl-1,4,9-triazaspiro[5.5]undec-4-yl)carbonyl]-2-isopropylpyrimidin-4(3H)-one
CID 56742402
N,2-dimethyl-6-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-1,6-dihydro-5-pyrimidinecarboxamide
CID 70709563
N,N-dimethyl-2-{(1S*,5R*)-6-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-3,6-diazabicyclo[3.2.2]non-3-yl}acetamide
CID 70758746
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
3-Butyl-4-[(4-hydroxy-2-methylpyrimidin-5-yl)carbonyl]-1-methylpiperazin-2-one
CID 72878704
1-Methyl-4-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72880943
(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
5-[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 97127640

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one?
The IUPAC name of 7-methyl-3-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one (CID 72839361) is 7-methyl-3-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one.
What is the SMILES notation for 7-methyl-3-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one?
The canonical SMILES for 7-methyl-3-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one is Cc1ncc(C(=O)N2CCC3(CC2)C(=O)NCCCN3C)c(=O)[nH]1.
What is the InChIKey of 7-methyl-3-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one?
The InChIKey is VIGJBQLYBJFPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-11-18-10-12(13(22)19-11)14(23)21-8-4-16(5-9-21)15(24)17-6-3-7-20(16)2/h10H,3-9H2,1-2H3,(H,17,24)(H,18,19,22).
What are the key properties of 7-methyl-3-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one?
7-methyl-3-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one has a molecular weight of 333.39 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one is sourced from PubChem (CID 72839361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).