2-morpholin-4-yl-4-pentylpyrimidine-5-carboxamide

C14H22N4O2 — CID 68789631

IUPAC2-morpholin-4-yl-4-pentylpyrimidine-5-carboxamide
SMILESCCCCCc1nc(N2CCOCC2)ncc1C(N)=O
InChIInChI=1S/C14H22N4O2/c1-2-3-4-5-12-11(13(15)19)10-16-14(17-12)18-6-8-20-9-7-18/h10H,2-9H2,1H3,(H2,15,19)
InChIKeyWRZRIKLYKUZQLW-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.14
Rot. Bonds6

About 2-morpholin-4-yl-4-pentylpyrimidine-5-carboxamide

2-morpholin-4-yl-4-pentylpyrimidine-5-carboxamide (PubChem CID 68789631) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-morpholin-4-yl-4-pentylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-4-pentylpyrimidine-5-carboxamide
PubChem CID68789631
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-morpholin-4-yl-4-pentylpyrimidine-5-carboxamide
SMILESCCCCCc1nc(N2CCOCC2)ncc1C(N)=O
InChIInChI=1S/C14H22N4O2/c1-2-3-4-5-12-11(13(15)19)10-16-14(17-12)18-6-8-20-9-7-18/h10H,2-9H2,1H3,(H2,15,19)
InChIKeyWRZRIKLYKUZQLW-UHFFFAOYSA-N
XLogP1.14
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-4-hexyl-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 58355353
7-Methyl-2-morpholin-4-yl-6,7,8-trihydroquinazolin-5-one
CID 2980039
2-Morpholin-4-yl-6,7,8-trihydroquinazolin-5-one
CID 5306361
N-[2-(3-methylpiperidin-1-yl)ethyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 53502557
N-(2-morpholin-4-ylethyl)-4-propan-2-ylpyrimidine-5-carboxamide
CID 53505726
4-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 53506680
N-[2-(2-methylpiperidin-1-yl)ethyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 53506851
1-{4-Methyl-2-[(3-morpholin-4-ylpropyl)amino]pyrimidin-5-yl}ethanone
CID 72852511
2-[1-(2-methoxyethyl)piperidin-3-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110248985
2-{2-Cyclopropyl-5-oxo-5H,6H,7H,8H,9H-pyrimido[5,4-C]azepin-6-YL}-N-[2-(morpholin-4-YL)ethyl]acetamide
CID 91909041
2-{2-Cyclopropyl-5-oxo-5H,6H,7H,8H,9H-pyrimido[5,4-C]azepin-6-YL}-N-[3-(morpholin-4-YL)propyl]acetamide
CID 91909038
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidine-5-carboxamide
CID 74238262

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-4-pentylpyrimidine-5-carboxamide?
The IUPAC name of 2-morpholin-4-yl-4-pentylpyrimidine-5-carboxamide (CID 68789631) is 2-morpholin-4-yl-4-pentylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-4-pentylpyrimidine-5-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-4-pentylpyrimidine-5-carboxamide is CCCCCc1nc(N2CCOCC2)ncc1C(N)=O.
What is the InChIKey of 2-morpholin-4-yl-4-pentylpyrimidine-5-carboxamide?
The InChIKey is WRZRIKLYKUZQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-3-4-5-12-11(13(15)19)10-16-14(17-12)18-6-8-20-9-7-18/h10H,2-9H2,1H3,(H2,15,19).
What are the key properties of 2-morpholin-4-yl-4-pentylpyrimidine-5-carboxamide?
2-morpholin-4-yl-4-pentylpyrimidine-5-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-4-pentylpyrimidine-5-carboxamide is sourced from PubChem (CID 68789631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).