6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine;ethane

C13H20N2 — CID 164543135

IUPAC6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine;ethane
SMILESCC.CC1=C([C@H]2C=CC=CC2)NC=NC1
InChIInChI=1S/C11H14N2.C2H6/c1-9-7-12-8-13-11(9)10-5-3-2-4-6-10;1-2/h2-5,8,10H,6-7H2,1H3,(H,12,13);1-2H3/t10-;/m0./s1
InChIKeyHWZACXOXWFBFFH-PPHPATTJSA-N
MW204.32 g/mol
LogP3.05
Rot. Bonds1

About 6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine;ethane

6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine;ethane (PubChem CID 164543135) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine;ethane.

Molecular Properties

Compound Name6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine;ethane
PubChem CID164543135
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine;ethane
SMILESCC.CC1=C([C@H]2C=CC=CC2)NC=NC1
InChIInChI=1S/C11H14N2.C2H6/c1-9-7-12-8-13-11(9)10-5-3-2-4-6-10;1-2/h2-5,8,10H,6-7H2,1H3,(H,12,13);1-2H3/t10-;/m0./s1
InChIKeyHWZACXOXWFBFFH-PPHPATTJSA-N
XLogP3.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3Z,5Z)-2-fluoro-6,8-dimethylnona-1,3,5-trien-5-yl]-N'-methylmethanimidamide
CID 166838186
7-Dimethyl-3,4,7,8-tetrahydroquinazoline
CID 135393541
1,4,4a,8a-Tetrahydroquinazoline
CID 17911504
5,6-Di(propan-2-yl)-1,4-dihydropyrimidine
CID 60071327
6-methylidene-4,5-di(propan-2-yl)-1H-pyrimidine
CID 60125687
3-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]-6,7-dihydro-4H-pyrido[4,3-d]pyrimidine;dihydrochloride
CID 67756735
4,5-dihydro-1H-cyclopenta[d]pyrimidine
CID 68168319
1-(6-methylcyclohexa-1,3-dien-1-yl)-2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]guanidine
CID 89098625
5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
1,4,7,8-Tetrahydroquinazoline
CID 91106721
1,4,5,6-Tetrahydroquinazoline
CID 91430266
(8aS)-1,4,4a,8a-tetrahydroquinazoline
CID 91496825

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine;ethane?
The IUPAC name of 6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine;ethane (CID 164543135) is 6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine;ethane.
What is the SMILES notation for 6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine;ethane?
The canonical SMILES for 6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine;ethane is CC.CC1=C([C@H]2C=CC=CC2)NC=NC1.
What is the InChIKey of 6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine;ethane?
The InChIKey is HWZACXOXWFBFFH-PPHPATTJSA-N. The full InChI is InChI=1S/C11H14N2.C2H6/c1-9-7-12-8-13-11(9)10-5-3-2-4-6-10;1-2/h2-5,8,10H,6-7H2,1H3,(H,12,13);1-2H3/t10-;/m0./s1.
What are the key properties of 6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine;ethane?
6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine;ethane has a molecular weight of 204.32 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine;ethane is sourced from PubChem (CID 164543135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).