N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-4-pentoxybenzamide

C22H30N4O3 — CID 122319112

IUPACN-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)NCc2nc(C)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C22H30N4O3/c1-3-4-5-12-29-19-8-6-18(7-9-19)22(27)23-16-20-24-17(2)15-21(25-20)26-10-13-28-14-11-26/h6-9,15H,3-5,10-14,16H2,1-2H3,(H,23,27)
InChIKeyNSCBIUWWAUVZLP-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.12
Rot. Bonds9

About N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-4-pentoxybenzamide

N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-4-pentoxybenzamide (PubChem CID 122319112) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-4-pentoxybenzamide.

Molecular Properties

Compound NameN-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-4-pentoxybenzamide
PubChem CID122319112
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)NCc2nc(C)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C22H30N4O3/c1-3-4-5-12-29-19-8-6-18(7-9-19)22(27)23-16-20-24-17(2)15-21(25-20)26-10-13-28-14-11-26/h6-9,15H,3-5,10-14,16H2,1-2H3,(H,23,27)
InChIKeyNSCBIUWWAUVZLP-UHFFFAOYSA-N
XLogP3.12
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-4-pentoxybenzamide
CID 122295213
4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122319165
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966835
3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966844
4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967481
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 122319042
[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-(4-pentoxyphenyl)methanone
CID 122333584
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
CID 91966875
2,4-dimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966839
6-cyclopentyloxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122319156
5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 122319076
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazine-2-carboxamide
CID 72718138

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-4-pentoxybenzamide?
The IUPAC name of N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-4-pentoxybenzamide (CID 122319112) is N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-4-pentoxybenzamide.
What is the SMILES notation for N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-4-pentoxybenzamide?
The canonical SMILES for N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)NCc2nc(C)cc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-4-pentoxybenzamide?
The InChIKey is NSCBIUWWAUVZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-3-4-5-12-29-19-8-6-18(7-9-19)22(27)23-16-20-24-17(2)15-21(25-20)26-10-13-28-14-11-26/h6-9,15H,3-5,10-14,16H2,1-2H3,(H,23,27).
What are the key properties of N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-4-pentoxybenzamide?
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-4-pentoxybenzamide has a molecular weight of 398.51 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-4-pentoxybenzamide is sourced from PubChem (CID 122319112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).