2-cyclopropyl-4-(1,3-thiazol-2-ylmethylamino)-1H-pyrimidin-6-one

C11H12N4OS — CID 136974677

IUPAC2-cyclopropyl-4-(1,3-thiazol-2-ylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCc2nccs2)nc(C2CC2)[nH]1
InChIInChI=1S/C11H12N4OS/c16-9-5-8(13-6-10-12-3-4-17-10)14-11(15-9)7-1-2-7/h3-5,7H,1-2,6H2,(H2,13,14,15,16)
InChIKeyHDUJYRYHRFDHIP-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.72
Rot. Bonds4

About 2-cyclopropyl-4-(1,3-thiazol-2-ylmethylamino)-1H-pyrimidin-6-one

2-cyclopropyl-4-(1,3-thiazol-2-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136974677) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-(1,3-thiazol-2-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(1,3-thiazol-2-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136974677
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name2-cyclopropyl-4-(1,3-thiazol-2-ylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCc2nccs2)nc(C2CC2)[nH]1
InChIInChI=1S/C11H12N4OS/c16-9-5-8(13-6-10-12-3-4-17-10)14-11(15-9)7-1-2-7/h3-5,7H,1-2,6H2,(H2,13,14,15,16)
InChIKeyHDUJYRYHRFDHIP-UHFFFAOYSA-N
XLogP1.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(1,3-thiazol-2-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(1,3-thiazol-2-ylmethylamino)-1H-pyrimidin-6-one (CID 136974677) is 2-cyclopropyl-4-(1,3-thiazol-2-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(1,3-thiazol-2-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(1,3-thiazol-2-ylmethylamino)-1H-pyrimidin-6-one is O=c1cc(NCc2nccs2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(1,3-thiazol-2-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is HDUJYRYHRFDHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c16-9-5-8(13-6-10-12-3-4-17-10)14-11(15-9)7-1-2-7/h3-5,7H,1-2,6H2,(H2,13,14,15,16).
What are the key properties of 2-cyclopropyl-4-(1,3-thiazol-2-ylmethylamino)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(1,3-thiazol-2-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 248.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(1,3-thiazol-2-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136974677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).