4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide

C20H27N5O2 — CID 71708502

IUPAC4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1cc(C)nc(Nc2ccc(C(=O)NCCCN3CCOCC3)cc2)n1
InChIInChI=1S/C20H27N5O2/c1-15-14-16(2)23-20(22-15)24-18-6-4-17(5-7-18)19(26)21-8-3-9-25-10-12-27-13-11-25/h4-7,14H,3,8-13H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyCBRMCXNEBRIPLT-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.29
Rot. Bonds7

About 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide

4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 71708502) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID71708502
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1cc(C)nc(Nc2ccc(C(=O)NCCCN3CCOCC3)cc2)n1
InChIInChI=1S/C20H27N5O2/c1-15-14-16(2)23-20(22-15)24-18-6-4-17(5-7-18)19(26)21-8-3-9-25-10-12-27-13-11-25/h4-7,14H,3,8-13H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyCBRMCXNEBRIPLT-UHFFFAOYSA-N
XLogP2.29
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.29
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

4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 62167538
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
4-(3,5-dimethylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 2530378
2-(4-chloroanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325370
N-(3-aminopropyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796599
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
4-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]butanoic acid
CID 108796515
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
2-(4-ethoxyanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325380
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
N-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796560

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide (CID 71708502) is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide is Cc1cc(C)nc(Nc2ccc(C(=O)NCCCN3CCOCC3)cc2)n1.
What is the InChIKey of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is CBRMCXNEBRIPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15-14-16(2)23-20(22-15)24-18-6-4-17(5-7-18)19(26)21-8-3-9-25-10-12-27-13-11-25/h4-7,14H,3,8-13H2,1-2H3,(H,21,26)(H,22,23,24).
What are the key properties of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 369.47 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 71708502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).