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

C11H14N2 — CID 164543136

IUPAC6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine
SMILESCC1=C([C@H]2C=CC=CC2)NC=NC1
InChIInChI=1S/C11H14N2/c1-9-7-12-8-13-11(9)10-5-3-2-4-6-10/h2-5,8,10H,6-7H2,1H3,(H,12,13)/t10-/m0/s1
InChIKeyOIDGINABVRXTAV-JTQLQIEISA-N
MW174.25 g/mol
LogP2.02
Rot. Bonds1

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

6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine (PubChem CID 164543136) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine
PubChem CID164543136
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine
SMILESCC1=C([C@H]2C=CC=CC2)NC=NC1
InChIInChI=1S/C11H14N2/c1-9-7-12-8-13-11(9)10-5-3-2-4-6-10/h2-5,8,10H,6-7H2,1H3,(H,12,13)/t10-/m0/s1
InChIKeyOIDGINABVRXTAV-JTQLQIEISA-N
XLogP2.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclopentaquinazoline
CID 87106084
7-Dimethyl-3,4,7,8-tetrahydroquinazoline
CID 135393541
1,4,4a,8a-Tetrahydroquinazoline
CID 17911504
N,N-dimethyl-3,4,4a,8a-tetrahydroquinazolin-4-amine
CID 53695724
6-methylidene-4,5-di(propan-2-yl)-1H-pyrimidine
CID 60125687
4,5-dihydro-1H-cyclopenta[d]pyrimidine
CID 68168319
7,8-dihydro-1H-quinazoline-4-thione
CID 88080523
6-propan-2-yl-3a,7a-dihydro-1H-benzimidazole
CID 89319387
5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
1,4,6,7-Tetrahydroquinazoline
CID 91013130
1,4,7,8-Tetrahydroquinazoline
CID 91106721
1,4,5,6-Tetrahydroquinazoline
CID 91430266

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine?
The IUPAC name of 6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine (CID 164543136) is 6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine.
What is the SMILES notation for 6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine?
The canonical SMILES for 6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine is 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?
The InChIKey is OIDGINABVRXTAV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14N2/c1-9-7-12-8-13-11(9)10-5-3-2-4-6-10/h2-5,8,10H,6-7H2,1H3,(H,12,13)/t10-/m0/s1.
What are the key properties of 6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine?
6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine has a molecular weight of 174.25 g/mol, XLogP of 2.02, 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 is sourced from PubChem (CID 164543136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).