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

C12H21N3 — CID 21340231

IUPAC2-[3-(1,2,3,4-tetrahydropyridin-6-yl)propyl]-1,4,5,6-tetrahydropyrimidine
SMILESC1=C(CCCC2=NCCCN2)NCCC1
InChIInChI=1S/C12H21N3/c1-2-8-13-11(5-1)6-3-7-12-14-9-4-10-15-12/h5,13H,1-4,6-10H2,(H,14,15)
InChIKeyGAMULOWXZUZUTJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.82
Rot. Bonds4

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

2-[3-(1,2,3,4-tetrahydropyridin-6-yl)propyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 21340231) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[3-(1,2,3,4-tetrahydropyridin-6-yl)propyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[3-(1,2,3,4-tetrahydropyridin-6-yl)propyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID21340231
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-[3-(1,2,3,4-tetrahydropyridin-6-yl)propyl]-1,4,5,6-tetrahydropyrimidine
SMILESC1=C(CCCC2=NCCCN2)NCCC1
InChIInChI=1S/C12H21N3/c1-2-8-13-11(5-1)6-3-7-12-14-9-4-10-15-12/h5,13H,1-4,6-10H2,(H,14,15)
InChIKeyGAMULOWXZUZUTJ-UHFFFAOYSA-N
XLogP1.82
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
CID 20692444
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-[(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-3-ium
CID 21340244
2-[2-(1,2,3,4-Tetrahydropyridin-6-yl)ethyl]-1,4,5,6-tetrahydropyrimidine
CID 22886471
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
2-[4-(2,3-dihydro-1H-pyrrol-5-yl)butyl]-4,5-dihydro-1H-imidazole
CID 22886486
2-(Cyclohexen-1-ylmethyl)-1,4,5,6-tetrahydropyrimidine
CID 89096039
2-(2-methylimino-3,4-dihydro-1H-pyridin-6-yl)ethanamine
CID 137090868
N,N'-dimethyl-N'-(6-methyl-3,4-dihydropyridin-2-yl)ethane-1,2-diamine
CID 142349265

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,2,3,4-tetrahydropyridin-6-yl)propyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[3-(1,2,3,4-tetrahydropyridin-6-yl)propyl]-1,4,5,6-tetrahydropyrimidine (CID 21340231) is 2-[3-(1,2,3,4-tetrahydropyridin-6-yl)propyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[3-(1,2,3,4-tetrahydropyridin-6-yl)propyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[3-(1,2,3,4-tetrahydropyridin-6-yl)propyl]-1,4,5,6-tetrahydropyrimidine is C1=C(CCCC2=NCCCN2)NCCC1.
What is the InChIKey of 2-[3-(1,2,3,4-tetrahydropyridin-6-yl)propyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is GAMULOWXZUZUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-8-13-11(5-1)6-3-7-12-14-9-4-10-15-12/h5,13H,1-4,6-10H2,(H,14,15).
What are the key properties of 2-[3-(1,2,3,4-tetrahydropyridin-6-yl)propyl]-1,4,5,6-tetrahydropyrimidine?
2-[3-(1,2,3,4-tetrahydropyridin-6-yl)propyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 207.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,2,3,4-tetrahydropyridin-6-yl)propyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 21340231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).