5-(methylaminomethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one

C11H14N4OS — CID 114206203

IUPAC5-(methylaminomethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one
SMILESCNCc1cnc(Cc2csc(C)n2)[nH]c1=O
InChIInChI=1S/C11H14N4OS/c1-7-14-9(6-17-7)3-10-13-5-8(4-12-2)11(16)15-10/h5-6,12H,3-4H2,1-2H3,(H,13,15,16)
InChIKeyTVPRMZSGQCRUQK-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.85
Rot. Bonds4

About 5-(methylaminomethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one

5-(methylaminomethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one (PubChem CID 114206203) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 5-(methylaminomethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(methylaminomethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one
PubChem CID114206203
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name5-(methylaminomethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one
SMILESCNCc1cnc(Cc2csc(C)n2)[nH]c1=O
InChIInChI=1S/C11H14N4OS/c1-7-14-9(6-17-7)3-10-13-5-8(4-12-2)11(16)15-10/h5-6,12H,3-4H2,1-2H3,(H,13,15,16)
InChIKeyTVPRMZSGQCRUQK-UHFFFAOYSA-N
XLogP0.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089
4-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one
CID 63611571
5-(methylaminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 83876552
5-bromo-4-cyclopentyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one
CID 136729648
5-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one
CID 83893681
3-fluoro-N-methyl-4-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 105389303
N,6-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine
CID 83162096
N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methanamine
CID 131042698
3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid
CID 103973317
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 103861343
5-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one
CID 116555704
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine
CID 60960559

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-(methylaminomethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one (CID 114206203) is 5-(methylaminomethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(methylaminomethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-(methylaminomethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one is CNCc1cnc(Cc2csc(C)n2)[nH]c1=O.
What is the InChIKey of 5-(methylaminomethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one?
The InChIKey is TVPRMZSGQCRUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-7-14-9(6-17-7)3-10-13-5-8(4-12-2)11(16)15-10/h5-6,12H,3-4H2,1-2H3,(H,13,15,16).
What are the key properties of 5-(methylaminomethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one?
5-(methylaminomethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one has a molecular weight of 250.33 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 114206203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).