N-ethyl-N-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]ethanamine

C15H23N3 — CID 82244191

IUPACN-ethyl-N-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1cccc(C2=NCCCN2)c1
InChIInChI=1S/C15H23N3/c1-3-18(4-2)12-13-7-5-8-14(11-13)15-16-9-6-10-17-15/h5,7-8,11H,3-4,6,9-10,12H2,1-2H3,(H,16,17)
InChIKeyVRDTYBADBOBZIM-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.27
Rot. Bonds5

About N-ethyl-N-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]ethanamine

N-ethyl-N-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]ethanamine (PubChem CID 82244191) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-ethyl-N-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]ethanamine
PubChem CID82244191
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-ethyl-N-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1cccc(C2=NCCCN2)c1
InChIInChI=1S/C15H23N3/c1-3-18(4-2)12-13-7-5-8-14(11-13)15-16-9-6-10-17-15/h5,7-8,11H,3-4,6,9-10,12H2,1-2H3,(H,16,17)
InChIKeyVRDTYBADBOBZIM-UHFFFAOYSA-N
XLogP2.27
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(diethylaminomethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110916261
2-[3-[(4-chlorophenyl)methoxymethyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82239974
2-phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 576157
1-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]benzimidazole
CID 82248362
2-[3-[(4-methylsulfonylphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252846
2-(4-ethoxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82243218
methyl 3-[3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-oxopropyl]benzoate
CID 58137632
2-(4-fluorophenyl)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetamide
CID 82252745
N-[(3-chlorophenyl)methyl]-N-ethylethanamine
CID 21325551
1-(3-chlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one
CID 58137546
2-[3-methyl-4-[2-[3-methyl-5-[2-[2-methyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 159432047
1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-3-[4-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]phenyl]urea;hydrochloride
CID 54612096

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]ethanamine (CID 82244191) is N-ethyl-N-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]ethanamine is CCN(CC)Cc1cccc(C2=NCCCN2)c1.
What is the InChIKey of N-ethyl-N-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]ethanamine?
The InChIKey is VRDTYBADBOBZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-18(4-2)12-13-7-5-8-14(11-13)15-16-9-6-10-17-15/h5,7-8,11H,3-4,6,9-10,12H2,1-2H3,(H,16,17).
What are the key properties of N-ethyl-N-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]ethanamine?
N-ethyl-N-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]ethanamine has a molecular weight of 245.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 82244191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).