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

C14H19N5OS — CID 75521277

IUPAC1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCc1csc(C(C)CNC(=O)NCc2ccnc(C)n2)n1
InChIInChI=1S/C14H19N5OS/c1-9(13-18-10(2)8-21-13)6-16-14(20)17-7-12-4-5-15-11(3)19-12/h4-5,8-9H,6-7H2,1-3H3,(H2,16,17,20)
InChIKeyPYIWAFNOBJKZBL-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.15
Rot. Bonds5

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

1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea (PubChem CID 75521277) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
PubChem CID75521277
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCc1csc(C(C)CNC(=O)NCc2ccnc(C)n2)n1
InChIInChI=1S/C14H19N5OS/c1-9(13-18-10(2)8-21-13)6-16-14(20)17-7-12-4-5-15-11(3)19-12/h4-5,8-9H,6-7H2,1-3H3,(H2,16,17,20)
InChIKeyPYIWAFNOBJKZBL-UHFFFAOYSA-N
XLogP2.15
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea with MolForge

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Related Compounds

1-(3-methylbutan-2-yl)-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 47328249
1-(3-fluoro-2-pyridinyl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 99840415
2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid
CID 114897739
N-[2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]carbamoylamino]ethyl]pyridine-3-carboxamide
CID 124617062
2,3-dimethyl-4-[(2-methylpyrimidin-4-yl)methylamino]-4-oxobutanoic acid
CID 103497934
2-methyl-3-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide
CID 79202738
N-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]benzamide
CID 75477530
1-(4-methyl-3-oxopyrazin-2-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505356
1-[(4-chlorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 47323613
1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 95189244
N-[(2-methylpyrimidin-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 61016997
1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 75521636

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea (CID 75521277) is 1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea is Cc1csc(C(C)CNC(=O)NCc2ccnc(C)n2)n1.
What is the InChIKey of 1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The InChIKey is PYIWAFNOBJKZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-9(13-18-10(2)8-21-13)6-16-14(20)17-7-12-4-5-15-11(3)19-12/h4-5,8-9H,6-7H2,1-3H3,(H2,16,17,20).
What are the key properties of 1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea has a molecular weight of 305.41 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 75521277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).