chloromethane;6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine;ethane

C17H23Cl2N3 — CID 143710899

IUPACchloromethane;6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine;ethane
SMILESC=C(/C(Cl)=C\C)c1cc2c(nc1=C)NC(C)=NC=2.CC.CCl
InChIInChI=1S/C14H14ClN3.C2H6.CH3Cl/c1-5-13(15)8(2)12-6-11-7-16-10(4)18-14(11)17-9(12)3;2*1-2/h5-7H,2-3H2,1,4H3,(H,16,17,18);1-2H3;1H3/b13-5+;;
InChIKeyGWIUJIYWFAVONR-IXYGCXJQSA-N
MW340.30 g/mol
LogP4.11
Rot. Bonds2

About chloromethane;6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine;ethane

chloromethane;6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine;ethane (PubChem CID 143710899) has the molecular formula C17H23Cl2N3 and a molecular weight of 340.30 g/mol. Its IUPAC name is chloromethane;6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine;ethane.

Molecular Properties

Compound Namechloromethane;6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine;ethane
PubChem CID143710899
Molecular FormulaC17H23Cl2N3
Molecular Weight340.30 g/mol
Exact Mass339.13
IUPAC Namechloromethane;6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine;ethane
SMILESC=C(/C(Cl)=C\C)c1cc2c(nc1=C)NC(C)=NC=2.CC.CCl
InChIInChI=1S/C14H14ClN3.C2H6.CH3Cl/c1-5-13(15)8(2)12-6-11-7-16-10(4)18-14(11)17-9(12)3;2*1-2/h5-7H,2-3H2,1,4H3,(H,16,17,18);1-2H3;1H3/b13-5+;;
InChIKeyGWIUJIYWFAVONR-IXYGCXJQSA-N
XLogP4.11
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

7-Chloro-2-methyl-1,5,6,7-tetrahydropyrrolo[2,3-b]azepine
CID 134375817
[(1Z,3Z)-5-[(8-chloro-6,7-dihydroquinolin-2-yl)amino]-3-methylhexa-1,3-dienyl]azanium
CID 144104881
6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine
CID 143710900
(1Z,3Z)-5-N-(8-chloro-6,7-dihydroquinolin-2-yl)-3-methylhexa-1,3-diene-1,5-diamine
CID 144104882

Frequently Asked Questions

What is the IUPAC name of chloromethane;6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine;ethane?
The IUPAC name of chloromethane;6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine;ethane (CID 143710899) is chloromethane;6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine;ethane.
What is the SMILES notation for chloromethane;6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine;ethane?
The canonical SMILES for chloromethane;6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine;ethane is C=C(/C(Cl)=C\C)c1cc2c(nc1=C)NC(C)=NC=2.CC.CCl.
What is the InChIKey of chloromethane;6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine;ethane?
The InChIKey is GWIUJIYWFAVONR-IXYGCXJQSA-N. The full InChI is InChI=1S/C14H14ClN3.C2H6.CH3Cl/c1-5-13(15)8(2)12-6-11-7-16-10(4)18-14(11)17-9(12)3;2*1-2/h5-7H,2-3H2,1,4H3,(H,16,17,18);1-2H3;1H3/b13-5+;;.
What are the key properties of chloromethane;6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine;ethane?
chloromethane;6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine;ethane has a molecular weight of 340.30 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine;ethane is sourced from PubChem (CID 143710899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).