6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide

C14H24N4O2 — CID 109364686

IUPAC6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)NCCC(C)C)nc(C)n1
InChIInChI=1S/C14H24N4O2/c1-10(2)5-6-16-14(19)12-9-13(15-7-8-20-4)18-11(3)17-12/h9-10H,5-8H2,1-4H3,(H,16,19)(H,15,17,18)
InChIKeyUQQKYKFTWONQED-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.62
Rot. Bonds8

About 6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide

6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide (PubChem CID 109364686) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
PubChem CID109364686
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)NCCC(C)C)nc(C)n1
InChIInChI=1S/C14H24N4O2/c1-10(2)5-6-16-14(19)12-9-13(15-7-8-20-4)18-11(3)17-12/h9-10H,5-8H2,1-4H3,(H,16,19)(H,15,17,18)
InChIKeyUQQKYKFTWONQED-UHFFFAOYSA-N
XLogP1.62
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.62
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

6-(2-methoxyethylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360580
N-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109364804
6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide
CID 112853132
2-methyl-N-(3-methylbutyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361234
6-(2-methoxyethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364634
6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109362317
N,N-diethyl-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364679
6-(2-methoxyethylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364632
6-(2-methoxyethylamino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364633
6-(2,6-difluoroanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846697
6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109364662
6-(4-acetylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846653

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide (CID 109364686) is 6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide is COCCNc1cc(C(=O)NCCC(C)C)nc(C)n1.
What is the InChIKey of 6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The InChIKey is UQQKYKFTWONQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10(2)5-6-16-14(19)12-9-13(15-7-8-20-4)18-11(3)17-12/h9-10H,5-8H2,1-4H3,(H,16,19)(H,15,17,18).
What are the key properties of 6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109364686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).