1-[5-[2-[2-(diethylamino)ethyl-methylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea

C24H36N8O2S — CID 11156310

IUPAC1-[5-[2-[2-(diethylamino)ethyl-methylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea
SMILESCCc1cnc(CCNC(=O)Nc2nc(C)c(-c3cc(C)nc(N(C)CCN(CC)CC)n3)s2)o1
InChIInChI=1S/C24H36N8O2S/c1-7-18-15-26-20(34-18)10-11-25-23(33)30-24-28-17(5)21(35-24)19-14-16(4)27-22(29-19)31(6)12-13-32(8-2)9-3/h14-15H,7-13H2,1-6H3,(H2,25,28,30,33)
InChIKeyNOXRKFXRWFYMQJ-UHFFFAOYSA-N
MW500.67 g/mol
LogP3.91
Rot. Bonds12

About 1-[5-[2-[2-(diethylamino)ethyl-methylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea

1-[5-[2-[2-(diethylamino)ethyl-methylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea (PubChem CID 11156310) has the molecular formula C24H36N8O2S and a molecular weight of 500.67 g/mol. Its IUPAC name is 1-[5-[2-[2-(diethylamino)ethyl-methylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[5-[2-[2-(diethylamino)ethyl-methylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea
PubChem CID11156310
Molecular FormulaC24H36N8O2S
Molecular Weight500.67 g/mol
Exact Mass500.27
IUPAC Name1-[5-[2-[2-(diethylamino)ethyl-methylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea
SMILESCCc1cnc(CCNC(=O)Nc2nc(C)c(-c3cc(C)nc(N(C)CCN(CC)CC)n3)s2)o1
InChIInChI=1S/C24H36N8O2S/c1-7-18-15-26-20(34-18)10-11-25-23(33)30-24-28-17(5)21(35-24)19-14-16(4)27-22(29-19)31(6)12-13-32(8-2)9-3/h14-15H,7-13H2,1-6H3,(H2,25,28,30,33)
InChIKeyNOXRKFXRWFYMQJ-UHFFFAOYSA-N
XLogP3.91
TPSA112.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.67
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[5-[2-[2-(diethylamino)ethyl-methylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[2-(diethylamino)ethyl-methylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea?
The IUPAC name of 1-[5-[2-[2-(diethylamino)ethyl-methylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea (CID 11156310) is 1-[5-[2-[2-(diethylamino)ethyl-methylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[5-[2-[2-(diethylamino)ethyl-methylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[5-[2-[2-(diethylamino)ethyl-methylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea is CCc1cnc(CCNC(=O)Nc2nc(C)c(-c3cc(C)nc(N(C)CCN(CC)CC)n3)s2)o1.
What is the InChIKey of 1-[5-[2-[2-(diethylamino)ethyl-methylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea?
The InChIKey is NOXRKFXRWFYMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N8O2S/c1-7-18-15-26-20(34-18)10-11-25-23(33)30-24-28-17(5)21(35-24)19-14-16(4)27-22(29-19)31(6)12-13-32(8-2)9-3/h14-15H,7-13H2,1-6H3,(H2,25,28,30,33).
What are the key properties of 1-[5-[2-[2-(diethylamino)ethyl-methylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea?
1-[5-[2-[2-(diethylamino)ethyl-methylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea has a molecular weight of 500.67 g/mol, XLogP of 3.91, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[2-(diethylamino)ethyl-methylamino]-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea is sourced from PubChem (CID 11156310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).