2-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide

C12H20N4O2 — CID 109297087

IUPAC2-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
SMILESCCC(C)Nc1nccc(C(=O)NCCOC)n1
InChIInChI=1S/C12H20N4O2/c1-4-9(2)15-12-14-6-5-10(16-12)11(17)13-7-8-18-3/h5-6,9H,4,7-8H2,1-3H3,(H,13,17)(H,14,15,16)
InChIKeyVZUKQZGDBYLOFF-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.06
Rot. Bonds7

About 2-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide

2-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide (PubChem CID 109297087) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
PubChem CID109297087
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
SMILESCCC(C)Nc1nccc(C(=O)NCCOC)n1
InChIInChI=1S/C12H20N4O2/c1-4-9(2)15-12-14-6-5-10(16-12)11(17)13-7-8-18-3/h5-6,9H,4,7-8H2,1-3H3,(H,13,17)(H,14,15,16)
InChIKeyVZUKQZGDBYLOFF-UHFFFAOYSA-N
XLogP1.06
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.06
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

2-(butan-2-ylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109297091
N-(2-methoxyethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109299802
2-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109297102
2-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109297207
2-(butan-2-ylamino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109297162
2-(cyclopropylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109295527
2-(2,6-diethylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299885
2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109297209
N-(3-methoxypropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296702
2-(4-bromoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299902
N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109299972
6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109362317

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide (CID 109297087) is 2-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide is CCC(C)Nc1nccc(C(=O)NCCOC)n1.
What is the InChIKey of 2-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
The InChIKey is VZUKQZGDBYLOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-9(2)15-12-14-6-5-10(16-12)11(17)13-7-8-18-3/h5-6,9H,4,7-8H2,1-3H3,(H,13,17)(H,14,15,16).
What are the key properties of 2-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
2-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109297087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).