2-methyl-5-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one

C12H15N7O3 — CID 163309470

IUPAC2-methyl-5-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCOC(c3nnnn3C)C2)c(=O)[nH]1
InChIInChI=1S/C12H15N7O3/c1-7-13-5-8(11(20)14-7)12(21)19-3-4-22-9(6-19)10-15-16-17-18(10)2/h5,9H,3-4,6H2,1-2H3,(H,13,14,20)
InChIKeyNVADELCTFAFNRX-UHFFFAOYSA-N
MW305.30 g/mol
LogP-1.18
Rot. Bonds2

About 2-methyl-5-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one

2-methyl-5-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one (PubChem CID 163309470) has the molecular formula C12H15N7O3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-methyl-5-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
PubChem CID163309470
Molecular FormulaC12H15N7O3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Name2-methyl-5-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCOC(c3nnnn3C)C2)c(=O)[nH]1
InChIInChI=1S/C12H15N7O3/c1-7-13-5-8(11(20)14-7)12(21)19-3-4-22-9(6-19)10-15-16-17-18(10)2/h5,9H,3-4,6H2,1-2H3,(H,13,14,20)
InChIKeyNVADELCTFAFNRX-UHFFFAOYSA-N
XLogP-1.18
TPSA118.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95549657
2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 56869394
7-chloro-3-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-quinolin-4-one
CID 163304992
2-methyl-4-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]phthalazin-1-one
CID 165420118
(5-methyl-3-phenyl-1H-pyrazol-4-yl)-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157017306
5-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 124954554
5-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 124954553
3-(4-hydroxycyclohexyl)-6-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-benzimidazol-2-one
CID 157014401
[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157016662
[1-(4-chlorophenyl)cyclobutyl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157015742
3-cyclohexyl-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one
CID 157012991
3-[2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 110105323

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one (CID 163309470) is 2-methyl-5-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one is Cc1ncc(C(=O)N2CCOC(c3nnnn3C)C2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is NVADELCTFAFNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O3/c1-7-13-5-8(11(20)14-7)12(21)19-3-4-22-9(6-19)10-15-16-17-18(10)2/h5,9H,3-4,6H2,1-2H3,(H,13,14,20).
What are the key properties of 2-methyl-5-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one?
2-methyl-5-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 305.30 g/mol, XLogP of -1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 163309470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).