N-tert-butyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide

C17H22N4O — CID 109304745

IUPACN-tert-butyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCC(Nc1nccc(C(=O)NC(C)(C)C)n1)c1ccccc1
InChIInChI=1S/C17H22N4O/c1-12(13-8-6-5-7-9-13)19-16-18-11-10-14(20-16)15(22)21-17(2,3)4/h5-12H,1-4H3,(H,21,22)(H,18,19,20)
InChIKeyIFLXWYFSEGRYQX-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.18
Rot. Bonds4

About N-tert-butyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide

N-tert-butyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109304745) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-tert-butyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109304745
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-tert-butyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCC(Nc1nccc(C(=O)NC(C)(C)C)n1)c1ccccc1
InChIInChI=1S/C17H22N4O/c1-12(13-8-6-5-7-9-13)19-16-18-11-10-14(20-16)15(22)21-17(2,3)4/h5-12H,1-4H3,(H,21,22)(H,18,19,20)
InChIKeyIFLXWYFSEGRYQX-UHFFFAOYSA-N
XLogP3.18
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

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Related Compounds

N-(2-methoxyethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109299802
N-cycloheptyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304746
2-(1-phenylethylamino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296133
N-(2-methoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304794
N-(2-ethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304797
N-tert-butyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109311338
N-[(2-methoxyphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304715
N-(2-ethyl-6-methylphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304772
N-(2,5-dimethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304802
N-(2-morpholin-4-ylethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109301556
4-chloro-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375668
3,4-dihydro-1H-isoquinolin-2-yl-[2-(1-phenylethylamino)pyrimidin-4-yl]methanone
CID 109304723

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide (CID 109304745) is N-tert-butyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide is CC(Nc1nccc(C(=O)NC(C)(C)C)n1)c1ccccc1.
What is the InChIKey of N-tert-butyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is IFLXWYFSEGRYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12(13-8-6-5-7-9-13)19-16-18-11-10-14(20-16)15(22)21-17(2,3)4/h5-12H,1-4H3,(H,21,22)(H,18,19,20).
What are the key properties of N-tert-butyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide?
N-tert-butyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109304745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).