1-phenyl-2-pyrimidin-2-ylethanamine

C12H13N3 — CID 63196621

IUPAC1-phenyl-2-pyrimidin-2-ylethanamine
SMILESNC(Cc1ncccn1)c1ccccc1
InChIInChI=1S/C12H13N3/c13-11(10-5-2-1-3-6-10)9-12-14-7-4-8-15-12/h1-8,11H,9,13H2
InChIKeyZACYYJKFCOYWNI-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.72
Rot. Bonds3

About 1-phenyl-2-pyrimidin-2-ylethanamine

1-phenyl-2-pyrimidin-2-ylethanamine (PubChem CID 63196621) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 1-phenyl-2-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name1-phenyl-2-pyrimidin-2-ylethanamine
PubChem CID63196621
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name1-phenyl-2-pyrimidin-2-ylethanamine
SMILESNC(Cc1ncccn1)c1ccccc1
InChIInChI=1S/C12H13N3/c13-11(10-5-2-1-3-6-10)9-12-14-7-4-8-15-12/h1-8,11H,9,13H2
InChIKeyZACYYJKFCOYWNI-UHFFFAOYSA-N
XLogP1.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-pyridin-4-ylethanamine
CID 10465342
1-phenyl-N'-pyrimidin-2-ylethane-1,2-diamine
CID 63120833
(1R)-2-pyridin-2-yl-1-pyridin-3-ylethanamine
CID 93256959
(2R)-1-pyrimidin-2-ylpropan-2-amine
CID 95028657
1-phenyl-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 80506681
1-phenyl-2-(1,2,4-thiadiazol-5-yl)ethanamine
CID 65280108
2-(5-methyl-2-pyridinyl)-1-phenylethanamine
CID 63196674
2-(6-ethylpyrimidin-4-yl)-1-phenylethanamine
CID 63196981
zinc;tris((2S)-2-amino-2-phenylethanol);dichloride
CID 175904832
2-(2,6-dichlorophenyl)-1-phenylethanamine
CID 55133818
N-(1-phenyl-2-pyrimidin-2-ylethyl)propan-1-amine
CID 55163177
(1S)-1-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridin-2-ylethanamine
CID 162640474

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-pyrimidin-2-ylethanamine?
The IUPAC name of 1-phenyl-2-pyrimidin-2-ylethanamine (CID 63196621) is 1-phenyl-2-pyrimidin-2-ylethanamine.
What is the SMILES notation for 1-phenyl-2-pyrimidin-2-ylethanamine?
The canonical SMILES for 1-phenyl-2-pyrimidin-2-ylethanamine is NC(Cc1ncccn1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-pyrimidin-2-ylethanamine?
The InChIKey is ZACYYJKFCOYWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c13-11(10-5-2-1-3-6-10)9-12-14-7-4-8-15-12/h1-8,11H,9,13H2.
What are the key properties of 1-phenyl-2-pyrimidin-2-ylethanamine?
1-phenyl-2-pyrimidin-2-ylethanamine has a molecular weight of 199.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-pyrimidin-2-ylethanamine is sourced from PubChem (CID 63196621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).