(7Z)-2,4-dimethyl-6-methylidene-7-prop-2-enylidenethieno[3,2-d]pyrimidine;ethane

C14H18N2S — CID 142519299

IUPAC(7Z)-2,4-dimethyl-6-methylidene-7-prop-2-enylidenethieno[3,2-d]pyrimidine;ethane
SMILESC=C/C=c1\c(=C)sc2c(C)nc(C)nc12.CC
InChIInChI=1S/C12H12N2S.C2H6/c1-5-6-10-8(3)15-12-7(2)13-9(4)14-11(10)12;1-2/h5-6H,1,3H2,2,4H3;1-2H3/b10-6+;
InChIKeyMONPVXQPPYELMO-AAGWESIMSA-N
MW246.38 g/mol
LogP2.71
Rot. Bonds1

About (7Z)-2,4-dimethyl-6-methylidene-7-prop-2-enylidenethieno[3,2-d]pyrimidine;ethane

(7Z)-2,4-dimethyl-6-methylidene-7-prop-2-enylidenethieno[3,2-d]pyrimidine;ethane (PubChem CID 142519299) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is (7Z)-2,4-dimethyl-6-methylidene-7-prop-2-enylidenethieno[3,2-d]pyrimidine;ethane.

Molecular Properties

Compound Name(7Z)-2,4-dimethyl-6-methylidene-7-prop-2-enylidenethieno[3,2-d]pyrimidine;ethane
PubChem CID142519299
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name(7Z)-2,4-dimethyl-6-methylidene-7-prop-2-enylidenethieno[3,2-d]pyrimidine;ethane
SMILESC=C/C=c1\c(=C)sc2c(C)nc(C)nc12.CC
InChIInChI=1S/C12H12N2S.C2H6/c1-5-6-10-8(3)15-12-7(2)13-9(4)14-11(10)12;1-2/h5-6H,1,3H2,2,4H3;1-2H3/b10-6+;
InChIKeyMONPVXQPPYELMO-AAGWESIMSA-N
XLogP2.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7Z)-2,4-dimethyl-6-methylidene-7-prop-2-enylidenethieno[3,2-d]pyrimidine;ethane?
The IUPAC name of (7Z)-2,4-dimethyl-6-methylidene-7-prop-2-enylidenethieno[3,2-d]pyrimidine;ethane (CID 142519299) is (7Z)-2,4-dimethyl-6-methylidene-7-prop-2-enylidenethieno[3,2-d]pyrimidine;ethane.
What is the SMILES notation for (7Z)-2,4-dimethyl-6-methylidene-7-prop-2-enylidenethieno[3,2-d]pyrimidine;ethane?
The canonical SMILES for (7Z)-2,4-dimethyl-6-methylidene-7-prop-2-enylidenethieno[3,2-d]pyrimidine;ethane is C=C/C=c1\c(=C)sc2c(C)nc(C)nc12.CC.
What is the InChIKey of (7Z)-2,4-dimethyl-6-methylidene-7-prop-2-enylidenethieno[3,2-d]pyrimidine;ethane?
The InChIKey is MONPVXQPPYELMO-AAGWESIMSA-N. The full InChI is InChI=1S/C12H12N2S.C2H6/c1-5-6-10-8(3)15-12-7(2)13-9(4)14-11(10)12;1-2/h5-6H,1,3H2,2,4H3;1-2H3/b10-6+;.
What are the key properties of (7Z)-2,4-dimethyl-6-methylidene-7-prop-2-enylidenethieno[3,2-d]pyrimidine;ethane?
(7Z)-2,4-dimethyl-6-methylidene-7-prop-2-enylidenethieno[3,2-d]pyrimidine;ethane has a molecular weight of 246.38 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-2,4-dimethyl-6-methylidene-7-prop-2-enylidenethieno[3,2-d]pyrimidine;ethane is sourced from PubChem (CID 142519299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).