N-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide

C12H20N4O3 — CID 109251301

IUPACN-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
SMILESCOCCCNc1ncc(C(=O)NCCOC)cn1
InChIInChI=1S/C12H20N4O3/c1-18-6-3-4-14-12-15-8-10(9-16-12)11(17)13-5-7-19-2/h8-9H,3-7H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyFIEMKIZRLMOPNE-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.30
Rot. Bonds9

About N-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide

N-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide (PubChem CID 109251301) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
PubChem CID109251301
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
SMILESCOCCCNc1ncc(C(=O)NCCOC)cn1
InChIInChI=1S/C12H20N4O3/c1-18-6-3-4-14-12-15-8-10(9-16-12)11(17)13-5-7-19-2/h8-9H,3-7H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyFIEMKIZRLMOPNE-UHFFFAOYSA-N
XLogP0.30
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.30
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-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109248053
N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109251488
N-butyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide
CID 109251916
2-(2-methoxyethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109251519
N-(2-bromophenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109251998
N-(4-bromo-2-methylphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109252001
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109251873
2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251731
N-(3-methoxypropyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109251671
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109252020
2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide
CID 109246483
N-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109250278

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide (CID 109251301) is N-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide is COCCCNc1ncc(C(=O)NCCOC)cn1.
What is the InChIKey of N-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide?
The InChIKey is FIEMKIZRLMOPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-18-6-3-4-14-12-15-8-10(9-16-12)11(17)13-5-7-19-2/h8-9H,3-7H2,1-2H3,(H,13,17)(H,14,15,16).
What are the key properties of N-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide?
N-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 0.30, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109251301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).