6-morpholin-4-yl-N-[(1S)-1-phenylethyl]pyrimidine-4-carboxamide

C17H20N4O2 — CID 124749178

IUPAC6-morpholin-4-yl-N-[(1S)-1-phenylethyl]pyrimidine-4-carboxamide
SMILESC[C@H](NC(=O)c1cc(N2CCOCC2)ncn1)c1ccccc1
InChIInChI=1S/C17H20N4O2/c1-13(14-5-3-2-4-6-14)20-17(22)15-11-16(19-12-18-15)21-7-9-23-10-8-21/h2-6,11-13H,7-10H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyQVJSVYMJKOQKMV-ZDUSSCGKSA-N
MW312.37 g/mol
LogP1.80
Rot. Bonds4

About 6-morpholin-4-yl-N-[(1S)-1-phenylethyl]pyrimidine-4-carboxamide

6-morpholin-4-yl-N-[(1S)-1-phenylethyl]pyrimidine-4-carboxamide (PubChem CID 124749178) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-[(1S)-1-phenylethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-morpholin-4-yl-N-[(1S)-1-phenylethyl]pyrimidine-4-carboxamide
PubChem CID124749178
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name6-morpholin-4-yl-N-[(1S)-1-phenylethyl]pyrimidine-4-carboxamide
SMILESC[C@H](NC(=O)c1cc(N2CCOCC2)ncn1)c1ccccc1
InChIInChI=1S/C17H20N4O2/c1-13(14-5-3-2-4-6-14)20-17(22)15-11-16(19-12-18-15)21-7-9-23-10-8-21/h2-6,11-13H,7-10H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyQVJSVYMJKOQKMV-ZDUSSCGKSA-N
XLogP1.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109344421
2-(2-morpholin-4-yl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 95089018
4-methoxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyridine-2-carboxamide
CID 166208501
N-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338660
5-(morpholin-4-ylmethyl)-N-[(1R)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 92725034
N-(4-tert-butylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343498
6-(4-formylpiperazin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109367441
5-(azepan-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280802
6-morpholin-4-yl-N-pyridin-3-ylpyrimidine-4-carboxamide
CID 91816399
6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851592
N-(2-ethyl-6-methylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343494
N-[2-(2-fluorophenyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343472

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-N-[(1S)-1-phenylethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-morpholin-4-yl-N-[(1S)-1-phenylethyl]pyrimidine-4-carboxamide (CID 124749178) is 6-morpholin-4-yl-N-[(1S)-1-phenylethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-morpholin-4-yl-N-[(1S)-1-phenylethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-morpholin-4-yl-N-[(1S)-1-phenylethyl]pyrimidine-4-carboxamide is C[C@H](NC(=O)c1cc(N2CCOCC2)ncn1)c1ccccc1.
What is the InChIKey of 6-morpholin-4-yl-N-[(1S)-1-phenylethyl]pyrimidine-4-carboxamide?
The InChIKey is QVJSVYMJKOQKMV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-13(14-5-3-2-4-6-14)20-17(22)15-11-16(19-12-18-15)21-7-9-23-10-8-21/h2-6,11-13H,7-10H2,1H3,(H,20,22)/t13-/m0/s1.
What are the key properties of 6-morpholin-4-yl-N-[(1S)-1-phenylethyl]pyrimidine-4-carboxamide?
6-morpholin-4-yl-N-[(1S)-1-phenylethyl]pyrimidine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N-[(1S)-1-phenylethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 124749178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).