1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea

C19H20N6O3S — CID 87343885

IUPAC1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCOc1cnc(-c2ccc(NC(=O)Nc3nccs3)cc2)nc1N1CCOCC1
InChIInChI=1S/C19H20N6O3S/c1-27-15-12-21-16(23-17(15)25-7-9-28-10-8-25)13-2-4-14(5-3-13)22-18(26)24-19-20-6-11-29-19/h2-6,11-12H,7-10H2,1H3,(H2,20,22,24,26)
InChIKeyUQFDUBXPPUOZLF-UHFFFAOYSA-N
MW412.48 g/mol
LogP3.09
Rot. Bonds5

About 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea

1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 87343885) has the molecular formula C19H20N6O3S and a molecular weight of 412.48 g/mol. Its IUPAC name is 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID87343885
Molecular FormulaC19H20N6O3S
Molecular Weight412.48 g/mol
Exact Mass412.13
IUPAC Name1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCOc1cnc(-c2ccc(NC(=O)Nc3nccs3)cc2)nc1N1CCOCC1
InChIInChI=1S/C19H20N6O3S/c1-27-15-12-21-16(23-17(15)25-7-9-28-10-8-25)13-2-4-14(5-3-13)22-18(26)24-19-20-6-11-29-19/h2-6,11-12H,7-10H2,1H3,(H2,20,22,24,26)
InChIKeyUQFDUBXPPUOZLF-UHFFFAOYSA-N
XLogP3.09
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[5-methoxy-2-[4-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenoxy]phenyl]pyrimidin-4-yl]morpholine
CID 142765179
4-(5-methoxy-2-phenylpyrimidin-4-yl)morpholine
CID 3329093
1-[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(4-thiomorpholin-4-ylphenyl)urea
CID 67297298
1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea
CID 159675177
1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]urea
CID 71004541
1-[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea
CID 70975031
[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl] N-amino-N-phenylcarbamate
CID 151436161
N-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-1H-benzimidazol-2-amine
CID 70975381
2-[[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzoic acid
CID 154265658
N-[4-[[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67516188
1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)urea
CID 71004511
N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide
CID 47148362

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea (CID 87343885) is 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea is COc1cnc(-c2ccc(NC(=O)Nc3nccs3)cc2)nc1N1CCOCC1.
What is the InChIKey of 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is UQFDUBXPPUOZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S/c1-27-15-12-21-16(23-17(15)25-7-9-28-10-8-25)13-2-4-14(5-3-13)22-18(26)24-19-20-6-11-29-19/h2-6,11-12H,7-10H2,1H3,(H2,20,22,24,26).
What are the key properties of 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea?
1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 412.48 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 87343885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).