1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea

C12H16N6O2S — CID 75385617

IUPAC1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
SMILESCNc1nc(CNC(=O)Nc2cc(COC)ncn2)cs1
InChIInChI=1S/C12H16N6O2S/c1-13-12-17-9(6-21-12)4-14-11(19)18-10-3-8(5-20-2)15-7-16-10/h3,6-7H,4-5H2,1-2H3,(H,13,17)(H2,14,15,16,18,19)
InChIKeyHXMHERSNFILDKH-UHFFFAOYSA-N
MW308.37 g/mol
LogP1.44
Rot. Bonds6

About 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea

1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea (PubChem CID 75385617) has the molecular formula C12H16N6O2S and a molecular weight of 308.37 g/mol. Its IUPAC name is 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea.

Molecular Properties

Compound Name1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
PubChem CID75385617
Molecular FormulaC12H16N6O2S
Molecular Weight308.37 g/mol
Exact Mass308.11
IUPAC Name1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
SMILESCNc1nc(CNC(=O)Nc2cc(COC)ncn2)cs1
InChIInChI=1S/C12H16N6O2S/c1-13-12-17-9(6-21-12)4-14-11(19)18-10-3-8(5-20-2)15-7-16-10/h3,6-7H,4-5H2,1-2H3,(H,13,17)(H2,14,15,16,18,19)
InChIKeyHXMHERSNFILDKH-UHFFFAOYSA-N
XLogP1.44
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
The IUPAC name of 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea (CID 75385617) is 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea.
What is the SMILES notation for 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
The canonical SMILES for 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea is CNc1nc(CNC(=O)Nc2cc(COC)ncn2)cs1.
What is the InChIKey of 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
The InChIKey is HXMHERSNFILDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2S/c1-13-12-17-9(6-21-12)4-14-11(19)18-10-3-8(5-20-2)15-7-16-10/h3,6-7H,4-5H2,1-2H3,(H,13,17)(H2,14,15,16,18,19).
What are the key properties of 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea has a molecular weight of 308.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methoxymethyl)pyrimidin-4-yl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea is sourced from PubChem (CID 75385617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).