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

C10H12N4O2S — CID 136999745

IUPAC5-methoxy-4-[(5-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCc2ncc(C)s2)nc[nH]c1=O
InChIInChI=1S/C10H12N4O2S/c1-6-3-11-7(17-6)4-12-9-8(16-2)10(15)14-5-13-9/h3,5H,4H2,1-2H3,(H2,12,13,14,15)
InChIKeyFDDYUDCTHSLICQ-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.16
Rot. Bonds4

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

5-methoxy-4-[(5-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136999745) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 5-methoxy-4-[(5-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(5-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136999745
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name5-methoxy-4-[(5-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCc2ncc(C)s2)nc[nH]c1=O
InChIInChI=1S/C10H12N4O2S/c1-6-3-11-7(17-6)4-12-9-8(16-2)10(15)14-5-13-9/h3,5H,4H2,1-2H3,(H2,12,13,14,15)
InChIKeyFDDYUDCTHSLICQ-UHFFFAOYSA-N
XLogP1.16
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136999749
4-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 136803553
5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 137016426
6-[(5-methyl-1,3-thiazol-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 103703865
4-[(5-amino-1H-pyrazol-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136978664
5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976940
4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849
4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136978906
2-[2-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]acetic acid
CID 136959393
5-methoxy-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136974266
5-methoxy-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136975614
4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136977399

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(5-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(5-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one (CID 136999745) is 5-methoxy-4-[(5-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(5-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(5-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one is COc1c(NCc2ncc(C)s2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(5-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is FDDYUDCTHSLICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-6-3-11-7(17-6)4-12-9-8(16-2)10(15)14-5-13-9/h3,5H,4H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-methoxy-4-[(5-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one?
5-methoxy-4-[(5-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 252.30 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(5-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136999745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).