N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide

C13H22N4O3 — CID 109299972

IUPACN-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(NCCCOC)n1
InChIInChI=1S/C13H22N4O3/c1-19-9-3-6-14-12(18)11-5-8-16-13(17-11)15-7-4-10-20-2/h5,8H,3-4,6-7,9-10H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyXANNIHKZLLDIFK-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.69
Rot. Bonds10

About N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide

N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide (PubChem CID 109299972) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
PubChem CID109299972
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC NameN-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(NCCCOC)n1
InChIInChI=1S/C13H22N4O3/c1-19-9-3-6-14-12(18)11-5-8-16-13(17-11)15-7-4-10-20-2/h5,8H,3-4,6-7,9-10H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyXANNIHKZLLDIFK-UHFFFAOYSA-N
XLogP0.69
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.69
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

N-(3-methoxypropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296702
2-[(4-methoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300175
2-[2-(2-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300183
2-(3-methoxypropylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109299997
N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299605
2-(2,6-difluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300332
N-(2,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300058
2-[3-(2-methoxyethoxy)propylamino]pyrimidine-4-carboxylic acid
CID 114098769
2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109299630
2-(3-bromo-4-methylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300266
N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300152
N-[2-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299633

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide (CID 109299972) is N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide is COCCCNC(=O)c1ccnc(NCCCOC)n1.
What is the InChIKey of N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide?
The InChIKey is XANNIHKZLLDIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-19-9-3-6-14-12(18)11-5-8-16-13(17-11)15-7-4-10-20-2/h5,8H,3-4,6-7,9-10H2,1-2H3,(H,14,18)(H,15,16,17).
What are the key properties of N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide?
N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 0.69, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109299972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).