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

C16H23N5O3 — CID 72934261

IUPAC1-methyl-4-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)Cc2cnc[nH]c2=O)CC12CCNC(=O)CC2
InChIInChI=1S/C16H23N5O3/c1-20-6-7-21(10-16(20)3-2-13(22)18-5-4-16)14(23)8-12-9-17-11-19-15(12)24/h9,11H,2-8,10H2,1H3,(H,18,22)(H,17,19,24)
InChIKeyJVFKHLBZKYNSHO-UHFFFAOYSA-N
MW333.39 g/mol
LogP-0.87
Rot. Bonds2

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

1-methyl-4-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72934261) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-methyl-4-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name1-methyl-4-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72934261
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name1-methyl-4-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)Cc2cnc[nH]c2=O)CC12CCNC(=O)CC2
InChIInChI=1S/C16H23N5O3/c1-20-6-7-21(10-16(20)3-2-13(22)18-5-4-16)14(23)8-12-9-17-11-19-15(12)24/h9,11H,2-8,10H2,1H3,(H,18,22)(H,17,19,24)
InChIKeyJVFKHLBZKYNSHO-UHFFFAOYSA-N
XLogP-0.87
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

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-[2-(1-methyl-10-oxo-1,4,9-triazaspiro[5.6]dodec-4-yl)-2-oxoethyl]-2,4(1H,3H)-pyrimidinedione
CID 72941252
(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
(6S)-1-methyl-4-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97128514
(6R)-1-methyl-4-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97128515
(6S)-1-methyl-4-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97153572
(6R)-1-methyl-4-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97153573

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 1-methyl-4-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72934261) is 1-methyl-4-[2-(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-(6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 1-methyl-4-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCN(C(=O)Cc2cnc[nH]c2=O)CC12CCNC(=O)CC2.
What is the InChIKey of 1-methyl-4-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is JVFKHLBZKYNSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-20-6-7-21(10-16(20)3-2-13(22)18-5-4-16)14(23)8-12-9-17-11-19-15(12)24/h9,11H,2-8,10H2,1H3,(H,18,22)(H,17,19,24).
What are the key properties of 1-methyl-4-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
1-methyl-4-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 333.39 g/mol, XLogP of -0.87, 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-(6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72934261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).