N-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide

C14H22N4O2 — CID 109361747

IUPACN-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(N2CCOCC2)nc(C)n1
InChIInChI=1S/C14H22N4O2/c1-3-4-5-15-14(19)12-10-13(17-11(2)16-12)18-6-8-20-9-7-18/h10H,3-9H2,1-2H3,(H,15,19)
InChIKeyWROJTSJRTKSDIB-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.15
Rot. Bonds5

About N-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide

N-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 109361747) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID109361747
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(N2CCOCC2)nc(C)n1
InChIInChI=1S/C14H22N4O2/c1-3-4-5-15-14(19)12-10-13(17-11(2)16-12)18-6-8-20-9-7-18/h10H,3-9H2,1-2H3,(H,15,19)
InChIKeyWROJTSJRTKSDIB-UHFFFAOYSA-N
XLogP1.15
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.15
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

N-butyl-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109361753
2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362764
N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109361785
2-methyl-6-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109364151
N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide
CID 109361802
2-methyl-6-morpholin-4-yl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360582
N-[(4-chlorophenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365353
2-methyl-N-[(2-methylphenyl)methyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365345
6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365167
2-methyl-N-propyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109360246
N-(2,6-dimethylphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365418
2-methyl-6-morpholin-4-yl-N-phenylpyrimidine-4-carboxamide
CID 109365407

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 109361747) is N-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide is CCCCNC(=O)c1cc(N2CCOCC2)nc(C)n1.
What is the InChIKey of N-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is WROJTSJRTKSDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-4-5-15-14(19)12-10-13(17-11(2)16-12)18-6-8-20-9-7-18/h10H,3-9H2,1-2H3,(H,15,19).
What are the key properties of N-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109361747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).