4-[2-[[(1S)-cyclohex-3-en-1-yl]methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide

C24H31N5O2 — CID 92619545

IUPAC4-[2-[[(1S)-cyclohex-3-en-1-yl]methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc(N2CCOCC2)nc1CCNC[C@@H]1CC=CCC1
InChIInChI=1S/C24H31N5O2/c30-23(27-20-9-5-2-6-10-20)21-18-26-24(29-13-15-31-16-14-29)28-22(21)11-12-25-17-19-7-3-1-4-8-19/h1-3,5-6,9-10,18-19,25H,4,7-8,11-17H2,(H,27,30)/t19-/m1/s1
InChIKeyYRHUNWXQQCNTLH-LJQANCHMSA-N
MW421.55 g/mol
LogP3.05
Rot. Bonds8

About 4-[2-[[(1S)-cyclohex-3-en-1-yl]methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide

4-[2-[[(1S)-cyclohex-3-en-1-yl]methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide (PubChem CID 92619545) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 4-[2-[[(1S)-cyclohex-3-en-1-yl]methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[2-[[(1S)-cyclohex-3-en-1-yl]methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
PubChem CID92619545
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name4-[2-[[(1S)-cyclohex-3-en-1-yl]methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc(N2CCOCC2)nc1CCNC[C@@H]1CC=CCC1
InChIInChI=1S/C24H31N5O2/c30-23(27-20-9-5-2-6-10-20)21-18-26-24(29-13-15-31-16-14-29)28-22(21)11-12-25-17-19-7-3-1-4-8-19/h1-3,5-6,9-10,18-19,25H,4,7-8,11-17H2,(H,27,30)/t19-/m1/s1
InChIKeyYRHUNWXQQCNTLH-LJQANCHMSA-N
XLogP3.05
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[2-[[(1S)-cyclohex-3-en-1-yl]methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide with MolForge

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Related Compounds

2-morpholin-4-yl-4-[2-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-N-phenylpyrimidine-5-carboxamide
CID 92619551
4-[2-[(3-methylphenyl)methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 95812403
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
N-(4-fluorophenyl)-4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 75538788
4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 66504043
4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53336276
2-cyclopentyl-N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]acetamide
CID 92618749
4-methyl-2-morpholin-4-yl-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 66504104
2-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 122299045
N-(cyclohex-3-en-1-ylmethyl)-6-morpholin-4-ylpyridin-3-amine
CID 43724709
4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide
CID 53143924
N-(3-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504121

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(1S)-cyclohex-3-en-1-yl]methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 4-[2-[[(1S)-cyclohex-3-en-1-yl]methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide (CID 92619545) is 4-[2-[[(1S)-cyclohex-3-en-1-yl]methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-[2-[[(1S)-cyclohex-3-en-1-yl]methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 4-[2-[[(1S)-cyclohex-3-en-1-yl]methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide is O=C(Nc1ccccc1)c1cnc(N2CCOCC2)nc1CCNC[C@@H]1CC=CCC1.
What is the InChIKey of 4-[2-[[(1S)-cyclohex-3-en-1-yl]methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide?
The InChIKey is YRHUNWXQQCNTLH-LJQANCHMSA-N. The full InChI is InChI=1S/C24H31N5O2/c30-23(27-20-9-5-2-6-10-20)21-18-26-24(29-13-15-31-16-14-29)28-22(21)11-12-25-17-19-7-3-1-4-8-19/h1-3,5-6,9-10,18-19,25H,4,7-8,11-17H2,(H,27,30)/t19-/m1/s1.
What are the key properties of 4-[2-[[(1S)-cyclohex-3-en-1-yl]methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide?
4-[2-[[(1S)-cyclohex-3-en-1-yl]methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide has a molecular weight of 421.55 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(1S)-cyclohex-3-en-1-yl]methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 92619545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).