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

C14H25N3 — CID 20692444

IUPAC2-[(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
SMILESCC1(C)CC=C(CC2=NCC(C)(C)CN2)NC1
InChIInChI=1S/C14H25N3/c1-13(2)6-5-11(15-8-13)7-12-16-9-14(3,4)10-17-12/h5,15H,6-10H2,1-4H3,(H,16,17)
InChIKeyCANWHDGMADVGOJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.31
Rot. Bonds2

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

2-[(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine (PubChem CID 20692444) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name2-[(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
PubChem CID20692444
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-[(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
SMILESCC1(C)CC=C(CC2=NCC(C)(C)CN2)NC1
InChIInChI=1S/C14H25N3/c1-13(2)6-5-11(15-8-13)7-12-16-9-14(3,4)10-17-12/h5,15H,6-10H2,1-4H3,(H,16,17)
InChIKeyCANWHDGMADVGOJ-UHFFFAOYSA-N
XLogP2.31
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

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-[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
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-[(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine?
The IUPAC name of 2-[(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine (CID 20692444) is 2-[(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine.
What is the SMILES notation for 2-[(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine?
The canonical SMILES for 2-[(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine is CC1(C)CC=C(CC2=NCC(C)(C)CN2)NC1.
What is the InChIKey of 2-[(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine?
The InChIKey is CANWHDGMADVGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-13(2)6-5-11(15-8-13)7-12-16-9-14(3,4)10-17-12/h5,15H,6-10H2,1-4H3,(H,16,17).
What are the key properties of 2-[(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine?
2-[(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine has a molecular weight of 235.37 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine is sourced from PubChem (CID 20692444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).