2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide

C13H14N4O — CID 141139654

IUPAC2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide
SMILESC[C@H](Nc1ncc(C(N)=O)cn1)c1ccccc1
InChIInChI=1S/C13H14N4O/c1-9(10-5-3-2-4-6-10)17-13-15-7-11(8-16-13)12(14)18/h2-9H,1H3,(H2,14,18)(H,15,16,17)/t9-/m0/s1
InChIKeySBNKBOCTHHNUQI-VIFPVBQESA-N
MW242.28 g/mol
LogP1.75
Rot. Bonds4

About 2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide

2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide (PubChem CID 141139654) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide
PubChem CID141139654
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide
SMILESC[C@H](Nc1ncc(C(N)=O)cn1)c1ccccc1
InChIInChI=1S/C13H14N4O/c1-9(10-5-3-2-4-6-10)17-13-15-7-11(8-16-13)12(14)18/h2-9H,1H3,(H2,14,18)(H,15,16,17)/t9-/m0/s1
InChIKeySBNKBOCTHHNUQI-VIFPVBQESA-N
XLogP1.75
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109248455
[2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249920
N-(4-fluorophenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256548
N-(3,4-dimethylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256532
[2-(1-phenylethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109256499
N-benzyl-N-ethyl-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256485
2-(1-phenylethylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109256567
N-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256544
6-chloro-4-(1-phenylethylamino)pyridine-3-carboxamide
CID 76789381
N-[(3-methylphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109255805
3-amino-4-(1-phenylethylamino)benzamide
CID 43448333
3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide
CID 93050367

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide (CID 141139654) is 2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide is C[C@H](Nc1ncc(C(N)=O)cn1)c1ccccc1.
What is the InChIKey of 2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide?
The InChIKey is SBNKBOCTHHNUQI-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14N4O/c1-9(10-5-3-2-4-6-10)17-13-15-7-11(8-16-13)12(14)18/h2-9H,1H3,(H2,14,18)(H,15,16,17)/t9-/m0/s1.
What are the key properties of 2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide?
2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 141139654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).