2-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]-1,4,5,6-tetrahydropyrimidine

C11H19N3 — CID 22886471

IUPAC2-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]-1,4,5,6-tetrahydropyrimidine
SMILESC1=C(CCC2=NCCCN2)NCCC1
InChIInChI=1S/C11H19N3/c1-2-7-12-10(4-1)5-6-11-13-8-3-9-14-11/h4,12H,1-3,5-9H2,(H,13,14)
InChIKeyRYUFLGULHUGORR-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.43
Rot. Bonds3

About 2-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]-1,4,5,6-tetrahydropyrimidine

2-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 22886471) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID22886471
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]-1,4,5,6-tetrahydropyrimidine
SMILESC1=C(CCC2=NCCCN2)NCCC1
InChIInChI=1S/C11H19N3/c1-2-7-12-10(4-1)5-6-11-13-8-3-9-14-11/h4,12H,1-3,5-9H2,(H,13,14)
InChIKeyRYUFLGULHUGORR-UHFFFAOYSA-N
XLogP1.43
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]-1,4,5,6-tetrahydropyrimidine 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

2-[(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
CID 20692444
5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazole
CID 20692450
2-(1,2,3,4-Tetrahydropyridin-6-ylmethyl)-1,4,5,6-tetrahydropyrimidin-3-ium
CID 21340216
2-(1,2,3,4-Tetrahydropyridin-6-ylmethyl)-1,4,5,6-tetrahydropyrimidine
CID 21340217
2-[3-(1,2,3,4-Tetrahydropyridin-6-yl)propyl]-1,4,5,6-tetrahydropyrimidin-3-ium
CID 21340230
2-[3-(1,2,3,4-Tetrahydropyridin-6-yl)propyl]-1,4,5,6-tetrahydropyrimidine
CID 21340231
2-[(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-3-ium
CID 21340244
2-[2-(2,3-dihydro-1H-pyrrol-5-yl)ethyl]-4,5-dihydro-1H-imidazole
CID 22886477
2-[2-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
CID 22886478
2-[4-(1,2,3,4-Tetrahydropyridin-6-yl)butyl]-1,4,5,6-tetrahydropyrimidine
CID 22886485
5-methyl-2-[2-(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)ethyl]-4,5-dihydro-1H-imidazole
CID 22886502
Ethyl-methyl-[1-(pent-2-en-2-ylamino)butylidene]azanium
CID 123212275

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]-1,4,5,6-tetrahydropyrimidine (CID 22886471) is 2-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]-1,4,5,6-tetrahydropyrimidine is C1=C(CCC2=NCCCN2)NCCC1.
What is the InChIKey of 2-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is RYUFLGULHUGORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-7-12-10(4-1)5-6-11-13-8-3-9-14-11/h4,12H,1-3,5-9H2,(H,13,14).
What are the key properties of 2-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]-1,4,5,6-tetrahydropyrimidine?
2-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 193.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 22886471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).