1-(6-morpholin-4-ylpyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)urea

C18H23N5O5 — CID 90544408

IUPAC1-(6-morpholin-4-ylpyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2cc(N3CCOCC3)ncn2)cc(OC)c1OC
InChIInChI=1S/C18H23N5O5/c1-25-13-8-12(9-14(26-2)17(13)27-3)21-18(24)22-15-10-16(20-11-19-15)23-4-6-28-7-5-23/h8-11H,4-7H2,1-3H3,(H2,19,20,21,22,24)
InChIKeyFPEBDHXIIHMKRP-UHFFFAOYSA-N
MW389.41 g/mol
LogP1.98
Rot. Bonds6

About 1-(6-morpholin-4-ylpyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)urea

1-(6-morpholin-4-ylpyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 90544408) has the molecular formula C18H23N5O5 and a molecular weight of 389.41 g/mol. Its IUPAC name is 1-(6-morpholin-4-ylpyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(6-morpholin-4-ylpyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID90544408
Molecular FormulaC18H23N5O5
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC Name1-(6-morpholin-4-ylpyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2cc(N3CCOCC3)ncn2)cc(OC)c1OC
InChIInChI=1S/C18H23N5O5/c1-25-13-8-12(9-14(26-2)17(13)27-3)21-18(24)22-15-10-16(20-11-19-15)23-4-6-28-7-5-23/h8-11H,4-7H2,1-3H3,(H2,19,20,21,22,24)
InChIKeyFPEBDHXIIHMKRP-UHFFFAOYSA-N
XLogP1.98
TPSA107.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(6-morpholin-4-ylpyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-(6-morpholin-4-ylpyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)urea (CID 90544408) is 1-(6-morpholin-4-ylpyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-(6-morpholin-4-ylpyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-(6-morpholin-4-ylpyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)Nc2cc(N3CCOCC3)ncn2)cc(OC)c1OC.
What is the InChIKey of 1-(6-morpholin-4-ylpyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is FPEBDHXIIHMKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O5/c1-25-13-8-12(9-14(26-2)17(13)27-3)21-18(24)22-15-10-16(20-11-19-15)23-4-6-28-7-5-23/h8-11H,4-7H2,1-3H3,(H2,19,20,21,22,24).
What are the key properties of 1-(6-morpholin-4-ylpyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)urea?
1-(6-morpholin-4-ylpyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 389.41 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-morpholin-4-ylpyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 90544408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).