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

C22H32N8O2S — CID 11397319

IUPAC1-[5-[2-[2-(dimethylamino)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(C)C)n3)s2)o1
InChIInChI=1S/C22H32N8O2S/c1-7-16-13-24-18(32-16)8-9-23-21(31)28-22-26-15(3)19(33-22)17-12-14(2)25-20(27-17)30(6)11-10-29(4)5/h12-13H,7-11H2,1-6H3,(H2,23,26,28,31)
InChIKeyQFTLDKUYNMACRW-UHFFFAOYSA-N
MW472.62 g/mol
LogP3.13
Rot. Bonds10

About 1-[5-[2-[2-(dimethylamino)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-(dimethylamino)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 11397319) has the molecular formula C22H32N8O2S and a molecular weight of 472.62 g/mol. Its IUPAC name is 1-[5-[2-[2-(dimethylamino)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-(dimethylamino)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 CID11397319
Molecular FormulaC22H32N8O2S
Molecular Weight472.62 g/mol
Exact Mass472.24
IUPAC Name1-[5-[2-[2-(dimethylamino)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(C)C)n3)s2)o1
InChIInChI=1S/C22H32N8O2S/c1-7-16-13-24-18(32-16)8-9-23-21(31)28-22-26-15(3)19(33-22)17-12-14(2)25-20(27-17)30(6)11-10-29(4)5/h12-13H,7-11H2,1-6H3,(H2,23,26,28,31)
InChIKeyQFTLDKUYNMACRW-UHFFFAOYSA-N
XLogP3.13
TPSA112.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.62
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[5-[2-[2-(dimethylamino)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-(dimethylamino)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-(dimethylamino)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 11397319) is 1-[5-[2-[2-(dimethylamino)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-(dimethylamino)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-(dimethylamino)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(C)C)n3)s2)o1.
What is the InChIKey of 1-[5-[2-[2-(dimethylamino)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 QFTLDKUYNMACRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N8O2S/c1-7-16-13-24-18(32-16)8-9-23-21(31)28-22-26-15(3)19(33-22)17-12-14(2)25-20(27-17)30(6)11-10-29(4)5/h12-13H,7-11H2,1-6H3,(H2,23,26,28,31).
What are the key properties of 1-[5-[2-[2-(dimethylamino)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-(dimethylamino)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 472.62 g/mol, XLogP of 3.13, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[2-(dimethylamino)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 11397319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).