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

C15H25N3 — CID 22090026

IUPAC2-[1-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
SMILESC=C(C1=CCC(C)(C)CN1)C1=NCC(C)(C)CN1
InChIInChI=1S/C15H25N3/c1-11(12-6-7-14(2,3)8-16-12)13-17-9-15(4,5)10-18-13/h6,16H,1,7-10H2,2-5H3,(H,17,18)
InChIKeyHYKJHQGDPKLIGJ-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.47
Rot. Bonds2

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

2-[1-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine (PubChem CID 22090026) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-[1-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name2-[1-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
PubChem CID22090026
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-[1-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
SMILESC=C(C1=CCC(C)(C)CN1)C1=NCC(C)(C)CN1
InChIInChI=1S/C15H25N3/c1-11(12-6-7-14(2,3)8-16-12)13-17-9-15(4,5)10-18-13/h6,16H,1,7-10H2,2-5H3,(H,17,18)
InChIKeyHYKJHQGDPKLIGJ-UHFFFAOYSA-N
XLogP2.47
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.47
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-[(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-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
CID 22886478
2-Tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine
CID 90254267
2-N,2-N-diethyl-4-N-methyl-6,7-dihydroquinoline-2,4-diamine
CID 144525247

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine?
The IUPAC name of 2-[1-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine (CID 22090026) is 2-[1-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine.
What is the SMILES notation for 2-[1-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine?
The canonical SMILES for 2-[1-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine is C=C(C1=CCC(C)(C)CN1)C1=NCC(C)(C)CN1.
What is the InChIKey of 2-[1-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine?
The InChIKey is HYKJHQGDPKLIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-11(12-6-7-14(2,3)8-16-12)13-17-9-15(4,5)10-18-13/h6,16H,1,7-10H2,2-5H3,(H,17,18).
What are the key properties of 2-[1-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine?
2-[1-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine has a molecular weight of 247.39 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine is sourced from PubChem (CID 22090026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).