N-(3-methoxypropyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide

C14H22N4O3 — CID 109251671

IUPACN-(3-methoxypropyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESCOCCCNC(=O)c1cnc(NCC2CCCO2)nc1
InChIInChI=1S/C14H22N4O3/c1-20-6-3-5-15-13(19)11-8-16-14(17-9-11)18-10-12-4-2-7-21-12/h8-9,12H,2-7,10H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyLRNVXGFNPAOBEV-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.83
Rot. Bonds8

About N-(3-methoxypropyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide

N-(3-methoxypropyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 109251671) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID109251671
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN-(3-methoxypropyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESCOCCCNC(=O)c1cnc(NCC2CCCO2)nc1
InChIInChI=1S/C14H22N4O3/c1-20-6-3-5-15-13(19)11-8-16-14(17-9-11)18-10-12-4-2-7-21-12/h8-9,12H,2-7,10H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyLRNVXGFNPAOBEV-UHFFFAOYSA-N
XLogP0.83
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.83
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-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
2-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 109252554
2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251731
N-(3-methoxypropyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 7013044
N-(3-methoxypropyl)-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7013045
2-(oxolan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109252524
N-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109251301
N-(4-acetylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252625
methyl 3-[[2-(oxolan-2-ylmethylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109252629
N-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252599
6-N-(3-methoxypropyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542993
N-(4-chloro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252602

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide (CID 109251671) is N-(3-methoxypropyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide is COCCCNC(=O)c1cnc(NCC2CCCO2)nc1.
What is the InChIKey of N-(3-methoxypropyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is LRNVXGFNPAOBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-20-6-3-5-15-13(19)11-8-16-14(17-9-11)18-10-12-4-2-7-21-12/h8-9,12H,2-7,10H2,1H3,(H,15,19)(H,16,17,18).
What are the key properties of N-(3-methoxypropyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide?
N-(3-methoxypropyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109251671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).