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

C19H25N7O2S — CID 11407355

IUPAC1-[5-[2-(dimethylamino)-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)C)n3)s2)o1
InChIInChI=1S/C19H25N7O2S/c1-6-13-10-21-15(28-13)7-8-20-18(27)25-19-23-12(3)16(29-19)14-9-11(2)22-17(24-14)26(4)5/h9-10H,6-8H2,1-5H3,(H2,20,23,25,27)
InChIKeyLWVMSBHWHINBEP-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.20
Rot. Bonds7

About 1-[5-[2-(dimethylamino)-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-(dimethylamino)-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea (PubChem CID 11407355) has the molecular formula C19H25N7O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-[5-[2-(dimethylamino)-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-(dimethylamino)-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea
PubChem CID11407355
Molecular FormulaC19H25N7O2S
Molecular Weight415.52 g/mol
Exact Mass415.18
IUPAC Name1-[5-[2-(dimethylamino)-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)C)n3)s2)o1
InChIInChI=1S/C19H25N7O2S/c1-6-13-10-21-15(28-13)7-8-20-18(27)25-19-23-12(3)16(29-19)14-9-11(2)22-17(24-14)26(4)5/h9-10H,6-8H2,1-5H3,(H2,20,23,25,27)
InChIKeyLWVMSBHWHINBEP-UHFFFAOYSA-N
XLogP3.20
TPSA109.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(dimethylamino)-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-(dimethylamino)-6-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]urea (CID 11407355) is 1-[5-[2-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-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)C)n3)s2)o1.
What is the InChIKey of 1-[5-[2-(dimethylamino)-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 LWVMSBHWHINBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2S/c1-6-13-10-21-15(28-13)7-8-20-18(27)25-19-23-12(3)16(29-19)14-9-11(2)22-17(24-14)26(4)5/h9-10H,6-8H2,1-5H3,(H2,20,23,25,27).
What are the key properties of 1-[5-[2-(dimethylamino)-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-(dimethylamino)-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 415.52 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(dimethylamino)-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 11407355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).