N-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide

C14H22N4O2 — CID 109250278

IUPACN-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
SMILESCOCCNc1ncc(C(=O)NC2CCCCC2)cn1
InChIInChI=1S/C14H22N4O2/c1-20-8-7-15-14-16-9-11(10-17-14)13(19)18-12-5-3-2-4-6-12/h9-10,12H,2-8H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyQYADCNLZPKKKFY-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.60
Rot. Bonds6

About N-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide

N-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide (PubChem CID 109250278) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
PubChem CID109250278
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
SMILESCOCCNc1ncc(C(=O)NC2CCCCC2)cn1
InChIInChI=1S/C14H22N4O2/c1-20-8-7-15-14-16-9-11(10-17-14)13(19)18-12-5-3-2-4-6-12/h9-10,12H,2-8H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyQYADCNLZPKKKFY-UHFFFAOYSA-N
XLogP1.60
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide
CID 109249531
N-cyclohexyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109250312
N-cycloheptyl-2-methoxypyrimidine-5-carboxamide
CID 51364566
N-cycloheptyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256246
2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251731
[2-(2-methoxyethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249905
2-(tert-butylamino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249591
N-cycloheptyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299667
N-cyclopentyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109249542
N-cyclohexyl-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109112980
N-cyclopentyl-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109273887
[2-(2-methoxyethylamino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109251557

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide (CID 109250278) is N-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide is COCCNc1ncc(C(=O)NC2CCCCC2)cn1.
What is the InChIKey of N-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide?
The InChIKey is QYADCNLZPKKKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-20-8-7-15-14-16-9-11(10-17-14)13(19)18-12-5-3-2-4-6-12/h9-10,12H,2-8H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of N-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide?
N-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109250278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).