2-cyclohexa-1,5-dien-1-yl-4-(1,2-dihydropyridin-2-yl)-6-methyl-1,2-dihydropyrimidine

C16H19N3 — CID 145421920

IUPAC2-cyclohexa-1,5-dien-1-yl-4-(1,2-dihydropyridin-2-yl)-6-methyl-1,2-dihydropyrimidine
SMILESCC1=CC(C2C=CC=CN2)=NC(C2=CCCC=C2)N1
InChIInChI=1S/C16H19N3/c1-12-11-15(14-9-5-6-10-17-14)19-16(18-12)13-7-3-2-4-8-13/h3,5-11,14,16-18H,2,4H2,1H3
InChIKeyCDVYZFWLQRPZPY-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.58
Rot. Bonds2

About 2-cyclohexa-1,5-dien-1-yl-4-(1,2-dihydropyridin-2-yl)-6-methyl-1,2-dihydropyrimidine

2-cyclohexa-1,5-dien-1-yl-4-(1,2-dihydropyridin-2-yl)-6-methyl-1,2-dihydropyrimidine (PubChem CID 145421920) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-(1,2-dihydropyridin-2-yl)-6-methyl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-4-(1,2-dihydropyridin-2-yl)-6-methyl-1,2-dihydropyrimidine
PubChem CID145421920
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-cyclohexa-1,5-dien-1-yl-4-(1,2-dihydropyridin-2-yl)-6-methyl-1,2-dihydropyrimidine
SMILESCC1=CC(C2C=CC=CN2)=NC(C2=CCCC=C2)N1
InChIInChI=1S/C16H19N3/c1-12-11-15(14-9-5-6-10-17-14)19-16(18-12)13-7-3-2-4-8-13/h3,5-11,14,16-18H,2,4H2,1H3
InChIKeyCDVYZFWLQRPZPY-UHFFFAOYSA-N
XLogP2.58
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexa-1,5-dien-1-yl-6-(trifluoromethyl)-1,2-dihydropyridine
CID 162598589
4-cyclohexa-1,5-dien-1-ylcyclohexan-1-ol
CID 142618294
2-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene
CID 151916060
5,10a-dihydro-4aH-benzo[b][1,4]benzodiazepine
CID 173062828
6-cyclohexa-1,5-dien-1-ylcyclohex-2-en-1-amine
CID 88997048
4-cyclohexa-1,5-dien-1-yl-3-methylcyclohexan-1-one
CID 168781260
2-(5-methyl-5,6-dihydronaphthalen-1-yl)-1,2-dihydropyridine
CID 137491209
1,8a-dihydroquinolin-6-amine;ethane
CID 144947007
2-(4-methylperoxycyclohexyl)cyclohexa-1,3-diene
CID 144554520
3-(2-cyclohexa-1,5-dien-1-yl-3-methyl-2,3-dihydropyridin-5-yl)-N-methylpropan-1-imine
CID 137435393
1-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N-methylmethanamine
CID 142280064
methane;2-methylcyclohexa-1,3-diene
CID 143188946

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-(1,2-dihydropyridin-2-yl)-6-methyl-1,2-dihydropyrimidine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-(1,2-dihydropyridin-2-yl)-6-methyl-1,2-dihydropyrimidine (CID 145421920) is 2-cyclohexa-1,5-dien-1-yl-4-(1,2-dihydropyridin-2-yl)-6-methyl-1,2-dihydropyrimidine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4-(1,2-dihydropyridin-2-yl)-6-methyl-1,2-dihydropyrimidine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-(1,2-dihydropyridin-2-yl)-6-methyl-1,2-dihydropyrimidine is CC1=CC(C2C=CC=CN2)=NC(C2=CCCC=C2)N1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4-(1,2-dihydropyridin-2-yl)-6-methyl-1,2-dihydropyrimidine?
The InChIKey is CDVYZFWLQRPZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-12-11-15(14-9-5-6-10-17-14)19-16(18-12)13-7-3-2-4-8-13/h3,5-11,14,16-18H,2,4H2,1H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4-(1,2-dihydropyridin-2-yl)-6-methyl-1,2-dihydropyrimidine?
2-cyclohexa-1,5-dien-1-yl-4-(1,2-dihydropyridin-2-yl)-6-methyl-1,2-dihydropyrimidine has a molecular weight of 253.35 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-4-(1,2-dihydropyridin-2-yl)-6-methyl-1,2-dihydropyrimidine is sourced from PubChem (CID 145421920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).