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

C13H22N4O2 — CID 109296702

IUPACN-(3-methoxypropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(NCC(C)C)n1
InChIInChI=1S/C13H22N4O2/c1-10(2)9-16-13-15-7-5-11(17-13)12(18)14-6-4-8-19-3/h5,7,10H,4,6,8-9H2,1-3H3,(H,14,18)(H,15,16,17)
InChIKeyJZDKDBJTLVEACV-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.31
Rot. Bonds8

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

N-(3-methoxypropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109296702) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
PubChem CID109296702
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-(3-methoxypropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(NCC(C)C)n1
InChIInChI=1S/C13H22N4O2/c1-10(2)9-16-13-15-7-5-11(17-13)12(18)14-6-4-8-19-3/h5,7,10H,4,6,8-9H2,1-3H3,(H,14,18)(H,15,16,17)
InChIKeyJZDKDBJTLVEACV-UHFFFAOYSA-N
XLogP1.31
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.31
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-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109299972
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
N-[2-(2-fluorophenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296732
N-butyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109296575
2-(2,6-difluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300332
2-(2-methylpropylamino)pyrimidine-4-carboxylic acid
CID 103689466
2-(3-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300300
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-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109297087
2-(3-bromo-4-methylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300266

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide (CID 109296702) is N-(3-methoxypropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide is COCCCNC(=O)c1ccnc(NCC(C)C)n1.
What is the InChIKey of N-(3-methoxypropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is JZDKDBJTLVEACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10(2)9-16-13-15-7-5-11(17-13)12(18)14-6-4-8-19-3/h5,7,10H,4,6,8-9H2,1-3H3,(H,14,18)(H,15,16,17).
What are the key properties of N-(3-methoxypropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide?
N-(3-methoxypropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109296702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).