1-(2-morpholin-4-ylpyrimidin-5-yl)-3-(4-propan-2-ylphenyl)urea

C18H23N5O2 — CID 155957576

IUPAC1-(2-morpholin-4-ylpyrimidin-5-yl)-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)Nc2cnc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C18H23N5O2/c1-13(2)14-3-5-15(6-4-14)21-18(24)22-16-11-19-17(20-12-16)23-7-9-25-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H2,21,22,24)
InChIKeyJQGGCPZDCLQNGA-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.08
Rot. Bonds4

About 1-(2-morpholin-4-ylpyrimidin-5-yl)-3-(4-propan-2-ylphenyl)urea

1-(2-morpholin-4-ylpyrimidin-5-yl)-3-(4-propan-2-ylphenyl)urea (PubChem CID 155957576) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylpyrimidin-5-yl)-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylpyrimidin-5-yl)-3-(4-propan-2-ylphenyl)urea
PubChem CID155957576
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-(2-morpholin-4-ylpyrimidin-5-yl)-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)Nc2cnc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C18H23N5O2/c1-13(2)14-3-5-15(6-4-14)21-18(24)22-16-11-19-17(20-12-16)23-7-9-25-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H2,21,22,24)
InChIKeyJQGGCPZDCLQNGA-UHFFFAOYSA-N
XLogP3.08
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-morpholin-4-yl-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 66504104
1-[(4-morpholin-4-ylphenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 86830614
1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 91968160
1-(4-tert-butylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
CID 122298783
1-(4-methoxyphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
CID 122298472
4-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 122299046
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818
2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164782
4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164786
4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164846
1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea
CID 47173524
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylpyrimidin-5-yl)-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-(2-morpholin-4-ylpyrimidin-5-yl)-3-(4-propan-2-ylphenyl)urea (CID 155957576) is 1-(2-morpholin-4-ylpyrimidin-5-yl)-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(2-morpholin-4-ylpyrimidin-5-yl)-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(2-morpholin-4-ylpyrimidin-5-yl)-3-(4-propan-2-ylphenyl)urea is CC(C)c1ccc(NC(=O)Nc2cnc(N3CCOCC3)nc2)cc1.
What is the InChIKey of 1-(2-morpholin-4-ylpyrimidin-5-yl)-3-(4-propan-2-ylphenyl)urea?
The InChIKey is JQGGCPZDCLQNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13(2)14-3-5-15(6-4-14)21-18(24)22-16-11-19-17(20-12-16)23-7-9-25-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(2-morpholin-4-ylpyrimidin-5-yl)-3-(4-propan-2-ylphenyl)urea?
1-(2-morpholin-4-ylpyrimidin-5-yl)-3-(4-propan-2-ylphenyl)urea has a molecular weight of 341.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylpyrimidin-5-yl)-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 155957576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).