(5Z,6E)-5-butylidene-6-ethylidene-1,4-dihydropyrimidine;ethane

C12H22N2 — CID 143195748

IUPAC(5Z,6E)-5-butylidene-6-ethylidene-1,4-dihydropyrimidine;ethane
SMILESC/C=C1/NC=NC/C1=C/CCC.CC
InChIInChI=1S/C10H16N2.C2H6/c1-3-5-6-9-7-11-8-12-10(9)4-2;1-2/h4,6,8H,3,5,7H2,1-2H3,(H,11,12);1-2H3/b9-6-,10-4+;
InChIKeyIHDCZRZWIMNONE-OYQBFJTMSA-N
MW194.32 g/mol
LogP3.27
Rot. Bonds2

About (5Z,6E)-5-butylidene-6-ethylidene-1,4-dihydropyrimidine;ethane

(5Z,6E)-5-butylidene-6-ethylidene-1,4-dihydropyrimidine;ethane (PubChem CID 143195748) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (5Z,6E)-5-butylidene-6-ethylidene-1,4-dihydropyrimidine;ethane.

Molecular Properties

Compound Name(5Z,6E)-5-butylidene-6-ethylidene-1,4-dihydropyrimidine;ethane
PubChem CID143195748
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(5Z,6E)-5-butylidene-6-ethylidene-1,4-dihydropyrimidine;ethane
SMILESC/C=C1/NC=NC/C1=C/CCC.CC
InChIInChI=1S/C10H16N2.C2H6/c1-3-5-6-9-7-11-8-12-10(9)4-2;1-2/h4,6,8H,3,5,7H2,1-2H3,(H,11,12);1-2H3/b9-6-,10-4+;
InChIKeyIHDCZRZWIMNONE-OYQBFJTMSA-N
XLogP3.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclopenta[g]quinazoline
CID 18925113
1H-Cyclohepta[d]pyrimidine
CID 45080488
6-methylidene-4,5-di(propan-2-yl)-1H-pyrimidine
CID 60125687
6-[(Z)-1-(dimethylamino)prop-1-en-2-yl]-1H-pyrimidine-4-thione
CID 89198075
5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
1,4,6,7-Tetrahydroquinazoline
CID 91013130
10-[(3Z)-7-methylidenenona-1,3-dien-2-yl]-1,4,5,6-tetrahydro-1,3-diazecine
CID 91311689
6-Cyclohepta-1,6-dien-1-yl-1,4-dihydropyrimidin-4-amine
CID 117792001
4-(2,5-Dimethylhexa-2,4-dien-3-yl)-5-methyl-1,4-dihydropyrimidine
CID 123294210
5-[(1E,3E)-2,3-dimethylhexa-1,3,5-trienyl]-6-methyl-1,4-dihydropyrimidin-4-amine
CID 123303165
N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide
CID 123434689
N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide
CID 123441819

Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-5-butylidene-6-ethylidene-1,4-dihydropyrimidine;ethane?
The IUPAC name of (5Z,6E)-5-butylidene-6-ethylidene-1,4-dihydropyrimidine;ethane (CID 143195748) is (5Z,6E)-5-butylidene-6-ethylidene-1,4-dihydropyrimidine;ethane.
What is the SMILES notation for (5Z,6E)-5-butylidene-6-ethylidene-1,4-dihydropyrimidine;ethane?
The canonical SMILES for (5Z,6E)-5-butylidene-6-ethylidene-1,4-dihydropyrimidine;ethane is C/C=C1/NC=NC/C1=C/CCC.CC.
What is the InChIKey of (5Z,6E)-5-butylidene-6-ethylidene-1,4-dihydropyrimidine;ethane?
The InChIKey is IHDCZRZWIMNONE-OYQBFJTMSA-N. The full InChI is InChI=1S/C10H16N2.C2H6/c1-3-5-6-9-7-11-8-12-10(9)4-2;1-2/h4,6,8H,3,5,7H2,1-2H3,(H,11,12);1-2H3/b9-6-,10-4+;.
What are the key properties of (5Z,6E)-5-butylidene-6-ethylidene-1,4-dihydropyrimidine;ethane?
(5Z,6E)-5-butylidene-6-ethylidene-1,4-dihydropyrimidine;ethane has a molecular weight of 194.32 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-5-butylidene-6-ethylidene-1,4-dihydropyrimidine;ethane is sourced from PubChem (CID 143195748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).