3-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one

C12H14N4OS — CID 86769619

IUPAC3-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one
SMILESCN(c1nc(Cn2cnccc2=O)cs1)C1CC1
InChIInChI=1S/C12H14N4OS/c1-15(10-2-3-10)12-14-9(7-18-12)6-16-8-13-5-4-11(16)17/h4-5,7-8,10H,2-3,6H2,1H3
InChIKeyWVCSVAFJALBVOX-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.35
Rot. Bonds4

About 3-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one

3-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one (PubChem CID 86769619) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 3-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one
PubChem CID86769619
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name3-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one
SMILESCN(c1nc(Cn2cnccc2=O)cs1)C1CC1
InChIInChI=1S/C12H14N4OS/c1-15(10-2-3-10)12-14-9(7-18-12)6-16-8-13-5-4-11(16)17/h4-5,7-8,10H,2-3,6H2,1H3
InChIKeyWVCSVAFJALBVOX-UHFFFAOYSA-N
XLogP1.35
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 3-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one (CID 86769619) is 3-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one is CN(c1nc(Cn2cnccc2=O)cs1)C1CC1.
What is the InChIKey of 3-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one?
The InChIKey is WVCSVAFJALBVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-15(10-2-3-10)12-14-9(7-18-12)6-16-8-13-5-4-11(16)17/h4-5,7-8,10H,2-3,6H2,1H3.
What are the key properties of 3-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one?
3-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one has a molecular weight of 262.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 86769619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).