2-cyclohepta-1,3,4,6-tetraen-1-yl-4-[(4Z)-cycloocta-1,2,4-trien-1-yl]-6-methyl-1,4-dihydropyrimidine

C20H20N2 — CID 176536757

IUPAC2-cyclohepta-1,3,4,6-tetraen-1-yl-4-[(4Z)-cycloocta-1,2,4-trien-1-yl]-6-methyl-1,4-dihydropyrimidine
SMILESCC1=CC(C2=C=C/C=C\CCC2)N=C(C2=CC=C=CC=C2)N1
InChIInChI=1S/C20H20N2/c1-16-15-19(17-11-7-3-2-4-8-12-17)22-20(21-16)18-13-9-5-6-10-14-18/h2-3,5,7,9-10,13-15,19H,4,8,12H2,1H3,(H,21,22)/b3-2-
InChIKeyLTWIIQWNFAURTO-IHWYPQMZSA-N
MW288.39 g/mol
LogP4.29
Rot. Bonds2

About 2-cyclohepta-1,3,4,6-tetraen-1-yl-4-[(4Z)-cycloocta-1,2,4-trien-1-yl]-6-methyl-1,4-dihydropyrimidine

2-cyclohepta-1,3,4,6-tetraen-1-yl-4-[(4Z)-cycloocta-1,2,4-trien-1-yl]-6-methyl-1,4-dihydropyrimidine (PubChem CID 176536757) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-cyclohepta-1,3,4,6-tetraen-1-yl-4-[(4Z)-cycloocta-1,2,4-trien-1-yl]-6-methyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-cyclohepta-1,3,4,6-tetraen-1-yl-4-[(4Z)-cycloocta-1,2,4-trien-1-yl]-6-methyl-1,4-dihydropyrimidine
PubChem CID176536757
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name2-cyclohepta-1,3,4,6-tetraen-1-yl-4-[(4Z)-cycloocta-1,2,4-trien-1-yl]-6-methyl-1,4-dihydropyrimidine
SMILESCC1=CC(C2=C=C/C=C\CCC2)N=C(C2=CC=C=CC=C2)N1
InChIInChI=1S/C20H20N2/c1-16-15-19(17-11-7-3-2-4-8-12-17)22-20(21-16)18-13-9-5-6-10-14-18/h2-3,5,7,9-10,13-15,19H,4,8,12H2,1H3,(H,21,22)/b3-2-
InChIKeyLTWIIQWNFAURTO-IHWYPQMZSA-N
XLogP4.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclohepta-1,3,4,6-tetraen-1-yl-4-[(4Z)-cycloocta-1,2,4-trien-1-yl]-6-methyl-1,4-dihydropyrimidine with MolForge

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Launch Full Analysis

Related Compounds

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N-[(3Z)-4-[6-[(4E,7E)-5-ethenyl-7-[(Z)-prop-1-enyl]cycloocta-2,4,7-trien-1-yl]-1-methyl-4H-pyrimidin-2-yl]buta-1,3-dien-2-yl]cyclohexanamine
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(2Z,5Z)-N'-[(3Z,5Z)-6-amino-2-methylidenehexa-3,5-dienyl]-2-(1-aminoprop-2-enylidene)-3,4-dimethylidene-N-prop-1-en-2-ylocta-5,7-dienimidamide
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ethene;N'-[(4Z,6Z)-octa-4,6-dien-2-yl]-N-prop-1-en-2-ylcyclohepta-1,3,6-triene-1-carboximidamide
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N-[(E)-but-2-en-2-yl]-N'-ethyl-2-[2-(ethylamino)ethyl]-3-methylbut-2-enimidamide;(2Z,4E)-4,5-diethylocta-2,4-diene
CID 145481642

Frequently Asked Questions

What is the IUPAC name of 2-cyclohepta-1,3,4,6-tetraen-1-yl-4-[(4Z)-cycloocta-1,2,4-trien-1-yl]-6-methyl-1,4-dihydropyrimidine?
The IUPAC name of 2-cyclohepta-1,3,4,6-tetraen-1-yl-4-[(4Z)-cycloocta-1,2,4-trien-1-yl]-6-methyl-1,4-dihydropyrimidine (CID 176536757) is 2-cyclohepta-1,3,4,6-tetraen-1-yl-4-[(4Z)-cycloocta-1,2,4-trien-1-yl]-6-methyl-1,4-dihydropyrimidine.
What is the SMILES notation for 2-cyclohepta-1,3,4,6-tetraen-1-yl-4-[(4Z)-cycloocta-1,2,4-trien-1-yl]-6-methyl-1,4-dihydropyrimidine?
The canonical SMILES for 2-cyclohepta-1,3,4,6-tetraen-1-yl-4-[(4Z)-cycloocta-1,2,4-trien-1-yl]-6-methyl-1,4-dihydropyrimidine is CC1=CC(C2=C=C/C=C\CCC2)N=C(C2=CC=C=CC=C2)N1.
What is the InChIKey of 2-cyclohepta-1,3,4,6-tetraen-1-yl-4-[(4Z)-cycloocta-1,2,4-trien-1-yl]-6-methyl-1,4-dihydropyrimidine?
The InChIKey is LTWIIQWNFAURTO-IHWYPQMZSA-N. The full InChI is InChI=1S/C20H20N2/c1-16-15-19(17-11-7-3-2-4-8-12-17)22-20(21-16)18-13-9-5-6-10-14-18/h2-3,5,7,9-10,13-15,19H,4,8,12H2,1H3,(H,21,22)/b3-2-.
What are the key properties of 2-cyclohepta-1,3,4,6-tetraen-1-yl-4-[(4Z)-cycloocta-1,2,4-trien-1-yl]-6-methyl-1,4-dihydropyrimidine?
2-cyclohepta-1,3,4,6-tetraen-1-yl-4-[(4Z)-cycloocta-1,2,4-trien-1-yl]-6-methyl-1,4-dihydropyrimidine has a molecular weight of 288.39 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohepta-1,3,4,6-tetraen-1-yl-4-[(4Z)-cycloocta-1,2,4-trien-1-yl]-6-methyl-1,4-dihydropyrimidine is sourced from PubChem (CID 176536757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).