N-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide

C13H22N4O3 — CID 109364804

IUPACN-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)NCCOC)nc(C)n1
InChIInChI=1S/C13H22N4O3/c1-10-16-11(13(18)15-6-8-20-3)9-12(17-10)14-5-4-7-19-2/h9H,4-8H2,1-3H3,(H,15,18)(H,14,16,17)
InChIKeyUVTFJZMRDJZDFS-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.61
Rot. Bonds9

About N-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide

N-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109364804) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
PubChem CID109364804
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC NameN-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)NCCOC)nc(C)n1
InChIInChI=1S/C13H22N4O3/c1-10-16-11(13(18)15-6-8-20-3)9-12(17-10)14-5-4-7-19-2/h9H,4-8H2,1-3H3,(H,15,18)(H,14,16,17)
InChIKeyUVTFJZMRDJZDFS-UHFFFAOYSA-N
XLogP0.61
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.61
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

6-(3-methoxypropylamino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109365015
N-[2-(4-chlorophenyl)ethyl]-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365029
6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109364686
N-(3-methoxypropyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109365172
6-(2-methoxyethylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360580
N-(4-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365095
N-(3-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365130
6-[2-(3-chlorophenyl)ethylamino]-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365227
6-(2-methoxyethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364634
6-(3-methoxypropylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109365060
6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109362317
6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109364849

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide (CID 109364804) is N-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide is COCCCNc1cc(C(=O)NCCOC)nc(C)n1.
What is the InChIKey of N-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is UVTFJZMRDJZDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-10-16-11(13(18)15-6-8-20-3)9-12(17-10)14-5-4-7-19-2/h9H,4-8H2,1-3H3,(H,15,18)(H,14,16,17).
What are the key properties of N-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide?
N-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 0.61, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109364804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).