[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]urea

C10H12N6OS — CID 175846540

IUPAC[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]urea
SMILESCNc1nccc(-c2sc(NC(N)=O)nc2C)n1
InChIInChI=1S/C10H12N6OS/c1-5-7(18-10(14-5)16-8(11)17)6-3-4-13-9(12-2)15-6/h3-4H,1-2H3,(H,12,13,15)(H3,11,14,16,17)
InChIKeyIPILAUJYWGMPKO-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.44
Rot. Bonds3

About [4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]urea

[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]urea (PubChem CID 175846540) has the molecular formula C10H12N6OS and a molecular weight of 264.31 g/mol. Its IUPAC name is [4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]urea
PubChem CID175846540
Molecular FormulaC10H12N6OS
Molecular Weight264.31 g/mol
Exact Mass264.08
IUPAC Name[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]urea
SMILESCNc1nccc(-c2sc(NC(N)=O)nc2C)n1
InChIInChI=1S/C10H12N6OS/c1-5-7(18-10(14-5)16-8(11)17)6-3-4-13-9(12-2)15-6/h3-4H,1-2H3,(H,12,13,15)(H3,11,14,16,17)
InChIKeyIPILAUJYWGMPKO-UHFFFAOYSA-N
XLogP1.44
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]urea?
The IUPAC name of [4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]urea (CID 175846540) is [4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]urea.
What is the SMILES notation for [4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]urea?
The canonical SMILES for [4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]urea is CNc1nccc(-c2sc(NC(N)=O)nc2C)n1.
What is the InChIKey of [4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]urea?
The InChIKey is IPILAUJYWGMPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6OS/c1-5-7(18-10(14-5)16-8(11)17)6-3-4-13-9(12-2)15-6/h3-4H,1-2H3,(H,12,13,15)(H3,11,14,16,17).
What are the key properties of [4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]urea?
[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]urea has a molecular weight of 264.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 175846540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).