1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea

C15H19N5OS — CID 71990596

IUPAC1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
SMILESCc1nccc(CNC(=O)NC(c2ncc(C)s2)C2CC2)n1
InChIInChI=1S/C15H19N5OS/c1-9-7-17-14(22-9)13(11-3-4-11)20-15(21)18-8-12-5-6-16-10(2)19-12/h5-7,11,13H,3-4,8H2,1-2H3,(H2,18,20,21)
InChIKeyCIPVBZCYQCISLY-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.50
Rot. Bonds5

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

1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea (PubChem CID 71990596) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
PubChem CID71990596
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
SMILESCc1nccc(CNC(=O)NC(c2ncc(C)s2)C2CC2)n1
InChIInChI=1S/C15H19N5OS/c1-9-7-17-14(22-9)13(11-3-4-11)20-15(21)18-8-12-5-6-16-10(2)19-12/h5-7,11,13H,3-4,8H2,1-2H3,(H2,18,20,21)
InChIKeyCIPVBZCYQCISLY-UHFFFAOYSA-N
XLogP2.50
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea?
The IUPAC name of 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea (CID 71990596) is 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea.
What is the SMILES notation for 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea?
The canonical SMILES for 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea is Cc1nccc(CNC(=O)NC(c2ncc(C)s2)C2CC2)n1.
What is the InChIKey of 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea?
The InChIKey is CIPVBZCYQCISLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-9-7-17-14(22-9)13(11-3-4-11)20-15(21)18-8-12-5-6-16-10(2)19-12/h5-7,11,13H,3-4,8H2,1-2H3,(H2,18,20,21).
What are the key properties of 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea?
1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea has a molecular weight of 317.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea is sourced from PubChem (CID 71990596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).