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

C18H24N4O2 — CID 112852490

IUPAC6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)NCCOC)nc(-c2ccccc2)n1
InChIInChI=1S/C18H24N4O2/c1-4-13(2)20-16-12-15(18(23)19-10-11-24-3)21-17(22-16)14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyADGOWJJIAKFXGS-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.73
Rot. Bonds8

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

6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112852490) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
PubChem CID112852490
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)NCCOC)nc(-c2ccccc2)n1
InChIInChI=1S/C18H24N4O2/c1-4-13(2)20-16-12-15(18(23)19-10-11-24-3)21-17(22-16)14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyADGOWJJIAKFXGS-UHFFFAOYSA-N
XLogP2.73
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.73
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)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112852515
6-(butan-2-ylamino)-N-[(2-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112852508
6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109362317
6-(butan-2-ylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112852514
6-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112852505
6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide
CID 112853132
6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853200
6-(butan-2-ylamino)-N-(4-ethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112852541
N-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853236
N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853211
N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide
CID 112853283
6-(2-cyanoanilino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853277

Frequently Asked Questions

What is the IUPAC name of 6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide (CID 112852490) is 6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide is CCC(C)Nc1cc(C(=O)NCCOC)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is ADGOWJJIAKFXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-13(2)20-16-12-15(18(23)19-10-11-24-3)21-17(22-16)14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,19,23)(H,20,21,22).
What are the key properties of 6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide?
6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.73, 8 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-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112852490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).