N-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide

C17H20N4O2 — CID 90544169

IUPACN-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C17H20N4O2/c22-17(7-6-14-4-2-1-3-5-14)20-15-12-16(19-13-18-15)21-8-10-23-11-9-21/h1-5,12-13H,6-11H2,(H,18,19,20,22)
InChIKeySBSJPTJHRPCHEN-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.88
Rot. Bonds5

About N-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide

N-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide (PubChem CID 90544169) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide
PubChem CID90544169
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C17H20N4O2/c22-17(7-6-14-4-2-1-3-5-14)20-15-12-16(19-13-18-15)21-8-10-23-11-9-21/h1-5,12-13H,6-11H2,(H,18,19,20,22)
InChIKeySBSJPTJHRPCHEN-UHFFFAOYSA-N
XLogP1.88
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylpropanamide
CID 90543791
4-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)butanamide
CID 90544865
6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
CID 112857039
2-(3-methylphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544157
2-(2-chlorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 71794834
N-(6-morpholin-4-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide
CID 71794861
3-(3-chlorophenyl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 122327995
1-(6-morpholin-4-ylpyrimidin-4-yl)-3-naphthalen-1-ylurea
CID 701189
2-(4-methoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544086
2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 90544108
N-(6-morpholin-4-ylpyrimidin-4-yl)naphthalene-2-carboxamide
CID 90544116
2-(4-phenylphenyl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90545188

Frequently Asked Questions

What is the IUPAC name of N-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide?
The IUPAC name of N-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide (CID 90544169) is N-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide?
The canonical SMILES for N-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cc(N2CCOCC2)ncn1.
What is the InChIKey of N-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide?
The InChIKey is SBSJPTJHRPCHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-17(7-6-14-4-2-1-3-5-14)20-15-12-16(19-13-18-15)21-8-10-23-11-9-21/h1-5,12-13H,6-11H2,(H,18,19,20,22).
What are the key properties of N-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide?
N-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide has a molecular weight of 312.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 90544169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).