1-(4-methoxypyrimidin-5-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea

C14H19N5O2S — CID 126778365

IUPAC1-(4-methoxypyrimidin-5-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea
SMILESCCC(C)(NC(=O)Nc1cncnc1OC)c1nc(C)cs1
InChIInChI=1S/C14H19N5O2S/c1-5-14(3,12-17-9(2)7-22-12)19-13(20)18-10-6-15-8-16-11(10)21-4/h6-8H,5H2,1-4H3,(H2,18,19,20)
InChIKeySYWOHXPNPQTYMI-UHFFFAOYSA-N
MW321.41 g/mol
LogP2.70
Rot. Bonds5

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

1-(4-methoxypyrimidin-5-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea (PubChem CID 126778365) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 1-(4-methoxypyrimidin-5-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea.

Molecular Properties

Compound Name1-(4-methoxypyrimidin-5-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea
PubChem CID126778365
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name1-(4-methoxypyrimidin-5-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea
SMILESCCC(C)(NC(=O)Nc1cncnc1OC)c1nc(C)cs1
InChIInChI=1S/C14H19N5O2S/c1-5-14(3,12-17-9(2)7-22-12)19-13(20)18-10-6-15-8-16-11(10)21-4/h6-8H,5H2,1-4H3,(H2,18,19,20)
InChIKeySYWOHXPNPQTYMI-UHFFFAOYSA-N
XLogP2.70
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrimidin-5-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea?
The IUPAC name of 1-(4-methoxypyrimidin-5-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea (CID 126778365) is 1-(4-methoxypyrimidin-5-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea.
What is the SMILES notation for 1-(4-methoxypyrimidin-5-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea?
The canonical SMILES for 1-(4-methoxypyrimidin-5-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea is CCC(C)(NC(=O)Nc1cncnc1OC)c1nc(C)cs1.
What is the InChIKey of 1-(4-methoxypyrimidin-5-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea?
The InChIKey is SYWOHXPNPQTYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-5-14(3,12-17-9(2)7-22-12)19-13(20)18-10-6-15-8-16-11(10)21-4/h6-8H,5H2,1-4H3,(H2,18,19,20).
What are the key properties of 1-(4-methoxypyrimidin-5-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea?
1-(4-methoxypyrimidin-5-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea has a molecular weight of 321.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrimidin-5-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea is sourced from PubChem (CID 126778365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).