6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide

C13H22N4O2 — CID 109362317

IUPAC6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)NCCOC)nc(C)n1
InChIInChI=1S/C13H22N4O2/c1-5-9(2)15-12-8-11(16-10(3)17-12)13(18)14-6-7-19-4/h8-9H,5-7H2,1-4H3,(H,14,18)(H,15,16,17)
InChIKeyWMEAMFLUUZPJND-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.37
Rot. Bonds7

About 6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide

6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109362317) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109362317
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)NCCOC)nc(C)n1
InChIInChI=1S/C13H22N4O2/c1-5-9(2)15-12-8-11(16-10(3)17-12)13(18)14-6-7-19-4/h8-9H,5-7H2,1-4H3,(H,14,18)(H,15,16,17)
InChIKeyWMEAMFLUUZPJND-UHFFFAOYSA-N
XLogP1.37
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.37
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-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112852490
N-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109364804
6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109364686
6-(2-methoxyethylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360580
4-N-butan-2-yl-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine
CID 112868226
6-(cyclohexylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109363775
6-(butan-2-ylamino)-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109362412
6-(butan-2-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109362419
2-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109297087
6-(butan-2-ylamino)-N-(4-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109362417
[6-[[(2R)-butan-2-yl]amino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 97458122
N-(2-methoxyethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109364810

Frequently Asked Questions

What is the IUPAC name of 6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide (CID 109362317) is 6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide is CCC(C)Nc1cc(C(=O)NCCOC)nc(C)n1.
What is the InChIKey of 6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is WMEAMFLUUZPJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-5-9(2)15-12-8-11(16-10(3)17-12)13(18)14-6-7-19-4/h8-9H,5-7H2,1-4H3,(H,14,18)(H,15,16,17).
What are the key properties of 6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide?
6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109362317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).