4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide

C24H33N5O2 — CID 53108652

IUPAC4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1
InChIInChI=1S/C24H33N5O2/c30-23(25-11-4-12-29-13-15-31-16-14-29)20-9-7-19(8-10-20)21-17-26-24(27-18-21)28-22-5-2-1-3-6-22/h7-10,17-18,22H,1-6,11-16H2,(H,25,30)(H,26,27,28)
InChIKeySMLNWNNOTSTPSV-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.34
Rot. Bonds8

About 4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide

4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 53108652) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID53108652
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1
InChIInChI=1S/C24H33N5O2/c30-23(25-11-4-12-29-13-15-31-16-14-29)20-9-7-19(8-10-20)21-17-26-24(27-18-21)28-22-5-2-1-3-6-22/h7-10,17-18,22H,1-6,11-16H2,(H,25,30)(H,26,27,28)
InChIKeySMLNWNNOTSTPSV-UHFFFAOYSA-N
XLogP3.34
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopentylamino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 109249721
N-butyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide
CID 20972697
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
4-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577401
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 84570657
4-morpholin-4-yl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577349
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
N-(3-morpholin-4-ylpropyl)-4-(6-piperidin-1-ylpyridazin-3-yl)benzamide
CID 53098773
3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 95086304
N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959342

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide (CID 53108652) is 4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide is O=C(NCCCN1CCOCC1)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1.
What is the InChIKey of 4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is SMLNWNNOTSTPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c30-23(25-11-4-12-29-13-15-31-16-14-29)20-9-7-19(8-10-20)21-17-26-24(27-18-21)28-22-5-2-1-3-6-22/h7-10,17-18,22H,1-6,11-16H2,(H,25,30)(H,26,27,28).
What are the key properties of 4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide?
4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 423.56 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 53108652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).