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

C16H19N3 — CID 110915371

IUPACN-(2-naphthalen-1-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESc1ccc2c(CCNC3=NCCCN3)cccc2c1
InChIInChI=1S/C16H19N3/c1-2-8-15-13(5-1)6-3-7-14(15)9-12-19-16-17-10-4-11-18-16/h1-3,5-8H,4,9-12H2,(H2,17,18,19)
InChIKeyWFVMVGNZBUZWSU-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.32
Rot. Bonds3

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

N-(2-naphthalen-1-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 110915371) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(2-naphthalen-1-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-naphthalen-1-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID110915371
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC NameN-(2-naphthalen-1-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESc1ccc2c(CCNC3=NCCCN3)cccc2c1
InChIInChI=1S/C16H19N3/c1-2-8-15-13(5-1)6-3-7-14(15)9-12-19-16-17-10-4-11-18-16/h1-3,5-8H,4,9-12H2,(H2,17,18,19)
InChIKeyWFVMVGNZBUZWSU-UHFFFAOYSA-N
XLogP2.32
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-nitrophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119138331
N-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601227
N-[2-(3-methylphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110917745
N-[2-(2,5-difluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111573054
N-(2-thiophen-2-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 51105474
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111465508
2-[3-chloro-2-(2-naphthalen-1-ylethyl)phenyl]-1,4,5,6-tetrahydropyrimidine;hydrochloride
CID 69239082
N-[3-(1H-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918605
ethane;3-(2-naphthalen-1-ylethyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
CID 143153163
N-[2-(5-bromo-2-fluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110918871
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913867
N-(3,3-diphenylpropyl)-4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-amine
CID 19820500

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-1-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-(2-naphthalen-1-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 110915371) is N-(2-naphthalen-1-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-(2-naphthalen-1-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-(2-naphthalen-1-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine is c1ccc2c(CCNC3=NCCCN3)cccc2c1.
What is the InChIKey of N-(2-naphthalen-1-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is WFVMVGNZBUZWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-8-15-13(5-1)6-3-7-14(15)9-12-19-16-17-10-4-11-18-16/h1-3,5-8H,4,9-12H2,(H2,17,18,19).
What are the key properties of N-(2-naphthalen-1-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
N-(2-naphthalen-1-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 253.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-1-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 110915371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).