N-(2,2-diphenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine

C18H21N3 — CID 19820471

IUPACN-(2,2-diphenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESc1ccc(C(CNC2=NCCCN2)c2ccccc2)cc1
InChIInChI=1S/C18H21N3/c1-3-8-15(9-4-1)17(16-10-5-2-6-11-16)14-21-18-19-12-7-13-20-18/h1-6,8-11,17H,7,12-14H2,(H2,19,20,21)
InChIKeyYGMUGWMNAYOQIY-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.76
Rot. Bonds4

About N-(2,2-diphenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine

N-(2,2-diphenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 19820471) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID19820471
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-(2,2-diphenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESc1ccc(C(CNC2=NCCCN2)c2ccccc2)cc1
InChIInChI=1S/C18H21N3/c1-3-8-15(9-4-1)17(16-10-5-2-6-11-16)14-21-18-19-12-7-13-20-18/h1-6,8-11,17H,7,12-14H2,(H2,19,20,21)
InChIKeyYGMUGWMNAYOQIY-UHFFFAOYSA-N
XLogP2.76
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-(2,2-diphenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 19820471) is N-(2,2-diphenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-(2,2-diphenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-(2,2-diphenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine is c1ccc(C(CNC2=NCCCN2)c2ccccc2)cc1.
What is the InChIKey of N-(2,2-diphenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is YGMUGWMNAYOQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-3-8-15(9-4-1)17(16-10-5-2-6-11-16)14-21-18-19-12-7-13-20-18/h1-6,8-11,17H,7,12-14H2,(H2,19,20,21).
What are the key properties of N-(2,2-diphenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
N-(2,2-diphenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 279.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 19820471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).