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

C15H21N5O3 — CID 97122087

IUPAC(6S)-1-methyl-4-(6-oxo-1H-pyrimidine-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)c2cnc[nH]c2=O)C[C@]12CCNC(=O)CC2
InChIInChI=1S/C15H21N5O3/c1-19-6-7-20(14(23)11-8-16-10-18-13(11)22)9-15(19)3-2-12(21)17-5-4-15/h8,10H,2-7,9H2,1H3,(H,17,21)(H,16,18,22)/t15-/m0/s1
InChIKeyZZIAMVCPWCLNFA-HNNXBMFYSA-N
MW319.37 g/mol
LogP-0.80
Rot. Bonds1

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

(6S)-1-methyl-4-(6-oxo-1H-pyrimidine-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97122087) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is (6S)-1-methyl-4-(6-oxo-1H-pyrimidine-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-1-methyl-4-(6-oxo-1H-pyrimidine-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97122087
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name(6S)-1-methyl-4-(6-oxo-1H-pyrimidine-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)c2cnc[nH]c2=O)C[C@]12CCNC(=O)CC2
InChIInChI=1S/C15H21N5O3/c1-19-6-7-20(14(23)11-8-16-10-18-13(11)22)9-15(19)3-2-12(21)17-5-4-15/h8,10H,2-7,9H2,1H3,(H,17,21)(H,16,18,22)/t15-/m0/s1
InChIKeyZZIAMVCPWCLNFA-HNNXBMFYSA-N
XLogP-0.80
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-1,6-dihydro-5-pyrimidinecarboxamide
CID 56891064
4-[(5-Hydroxy-2-pyrazinyl)carbonyl]-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72837239
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-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72880943
5-[(1-methyl-10-oxo-1,4,9-triazaspiro[5.6]dodec-4-yl)carbonyl]-2,4(1H,3H)-pyrimidinedione
CID 72922507
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-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97109646
(6R)-1-methyl-4-(6-oxo-1H-pyrazine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97109647
(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

Frequently Asked Questions

What is the IUPAC name of (6S)-1-methyl-4-(6-oxo-1H-pyrimidine-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-1-methyl-4-(6-oxo-1H-pyrimidine-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97122087) is (6S)-1-methyl-4-(6-oxo-1H-pyrimidine-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-1-methyl-4-(6-oxo-1H-pyrimidine-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-1-methyl-4-(6-oxo-1H-pyrimidine-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCN(C(=O)c2cnc[nH]c2=O)C[C@]12CCNC(=O)CC2.
What is the InChIKey of (6S)-1-methyl-4-(6-oxo-1H-pyrimidine-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is ZZIAMVCPWCLNFA-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-19-6-7-20(14(23)11-8-16-10-18-13(11)22)9-15(19)3-2-12(21)17-5-4-15/h8,10H,2-7,9H2,1H3,(H,17,21)(H,16,18,22)/t15-/m0/s1.
What are the key properties of (6S)-1-methyl-4-(6-oxo-1H-pyrimidine-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-1-methyl-4-(6-oxo-1H-pyrimidine-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 319.37 g/mol, XLogP of -0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-methyl-4-(6-oxo-1H-pyrimidine-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97122087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).