2-[2-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine

C15H27N3 — CID 22886478

IUPAC2-[2-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
SMILESCC1(C)CC=C(CCC2=NCC(C)(C)CN2)NC1
InChIInChI=1S/C15H27N3/c1-14(2)8-7-12(16-9-14)5-6-13-17-10-15(3,4)11-18-13/h7,16H,5-6,8-11H2,1-4H3,(H,17,18)
InChIKeyZOKOAPNMWCOELN-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.70
Rot. Bonds3

About 2-[2-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine

2-[2-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine (PubChem CID 22886478) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[2-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name2-[2-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
PubChem CID22886478
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-[2-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
SMILESCC1(C)CC=C(CCC2=NCC(C)(C)CN2)NC1
InChIInChI=1S/C15H27N3/c1-14(2)8-7-12(16-9-14)5-6-13-17-10-15(3,4)11-18-13/h7,16H,5-6,8-11H2,1-4H3,(H,17,18)
InChIKeyZOKOAPNMWCOELN-UHFFFAOYSA-N
XLogP2.70
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine with MolForge

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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-(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-[1-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
CID 22090026
2-[2-(1,2,3,4-Tetrahydropyridin-6-yl)ethyl]-1,4,5,6-tetrahydropyrimidine
CID 22886471
2-[4-(1,2,3,4-Tetrahydropyridin-6-yl)butyl]-1,4,5,6-tetrahydropyrimidine
CID 22886485
N-[(E)-4-(aminomethyl)-4-ethylhex-2-en-2-yl]-2-methyl-N'-propylpropanimidamide
CID 123959851
4-Tert-butyl-2,6-dimethyl-1,4-dihydropyrimidine
CID 134478713
N,4,4,6-tetramethyl-1,3-dihydropyridin-2-imine
CID 135601357

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine?
The IUPAC name of 2-[2-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine (CID 22886478) is 2-[2-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine.
What is the SMILES notation for 2-[2-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine?
The canonical SMILES for 2-[2-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine is CC1(C)CC=C(CCC2=NCC(C)(C)CN2)NC1.
What is the InChIKey of 2-[2-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine?
The InChIKey is ZOKOAPNMWCOELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-14(2)8-7-12(16-9-14)5-6-13-17-10-15(3,4)11-18-13/h7,16H,5-6,8-11H2,1-4H3,(H,17,18).
What are the key properties of 2-[2-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine?
2-[2-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine has a molecular weight of 249.40 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine is sourced from PubChem (CID 22886478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).