6-(butylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide

C17H22N4O — CID 109339831

IUPAC6-(butylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCCCCNc1cc(C(=O)NC(C)c2ccccc2)ncn1
InChIInChI=1S/C17H22N4O/c1-3-4-10-18-16-11-15(19-12-20-16)17(22)21-13(2)14-8-6-5-7-9-14/h5-9,11-13H,3-4,10H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyDDVQMNKURISJFF-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.18
Rot. Bonds7

About 6-(butylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide

6-(butylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109339831) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-(butylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(butylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109339831
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name6-(butylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCCCCNc1cc(C(=O)NC(C)c2ccccc2)ncn1
InChIInChI=1S/C17H22N4O/c1-3-4-10-18-16-11-15(19-12-20-16)17(22)21-13(2)14-8-6-5-7-9-14/h5-9,11-13H,3-4,10H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyDDVQMNKURISJFF-UHFFFAOYSA-N
XLogP3.18
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338660
N-(1-phenylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109347642
6-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109344421
6-[(2-fluorophenyl)methylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347632
6-(butylamino)-N-propylpyrimidine-4-carboxamide
CID 109338441
6-(diethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347663
6-(pentylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156212
6-methyl-2-(pentylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109328129
6-(butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109339940
6-(butylamino)-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide
CID 109339917
N-(2-fluorophenyl)-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354441
6-(pentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109354484

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(butylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide (CID 109339831) is 6-(butylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(butylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(butylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide is CCCCNc1cc(C(=O)NC(C)c2ccccc2)ncn1.
What is the InChIKey of 6-(butylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is DDVQMNKURISJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-4-10-18-16-11-15(19-12-20-16)17(22)21-13(2)14-8-6-5-7-9-14/h5-9,11-13H,3-4,10H2,1-2H3,(H,21,22)(H,18,19,20).
What are the key properties of 6-(butylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
6-(butylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109339831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).