2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide

C16H20N4O — CID 109246506

IUPAC2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(NCCc2ccccc2)nc1
InChIInChI=1S/C16H20N4O/c1-2-9-17-15(21)14-11-19-16(20-12-14)18-10-8-13-6-4-3-5-7-13/h3-7,11-12H,2,8-10H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyNXRUMTKAYXZWTI-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.27
Rot. Bonds7

About 2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide

2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide (PubChem CID 109246506) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide
PubChem CID109246506
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(NCCc2ccccc2)nc1
InChIInChI=1S/C16H20N4O/c1-2-9-17-15(21)14-11-19-16(20-12-14)18-10-8-13-6-4-3-5-7-13/h3-7,11-12H,2,8-10H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyNXRUMTKAYXZWTI-UHFFFAOYSA-N
XLogP2.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
2-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide
CID 109246522
N-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259527
6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243
2-[2-(2-fluorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide
CID 109246508
N-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109256088
N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259548
N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259557
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109257138
N-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109255233
N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259590
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109251184

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide?
The IUPAC name of 2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide (CID 109246506) is 2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide is CCCNC(=O)c1cnc(NCCc2ccccc2)nc1.
What is the InChIKey of 2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide?
The InChIKey is NXRUMTKAYXZWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-9-17-15(21)14-11-19-16(20-12-14)18-10-8-13-6-4-3-5-7-13/h3-7,11-12H,2,8-10H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of 2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide?
2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 109246506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).