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

C14H14ClN3 — CID 143710900

IUPAC6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine
SMILESC=C(/C(Cl)=C\C)c1cc2c(nc1=C)NC(C)=NC=2
InChIInChI=1S/C14H14ClN3/c1-5-13(15)8(2)12-6-11-7-16-10(4)18-14(11)17-9(12)3/h5-7H,2-3H2,1,4H3,(H,16,17,18)/b13-5+
InChIKeyCTBYQMASLNBPAN-WLRTZDKTSA-N
MW259.74 g/mol
LogP2.23
Rot. Bonds2

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

6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine (PubChem CID 143710900) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine
PubChem CID143710900
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine
SMILESC=C(/C(Cl)=C\C)c1cc2c(nc1=C)NC(C)=NC=2
InChIInChI=1S/C14H14ClN3/c1-5-13(15)8(2)12-6-11-7-16-10(4)18-14(11)17-9(12)3/h5-7H,2-3H2,1,4H3,(H,16,17,18)/b13-5+
InChIKeyCTBYQMASLNBPAN-WLRTZDKTSA-N
XLogP2.23
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Chloroethyl)-2-methyl-4-methylidenepyrido[1,2-a]pyrimidine
CID 90084228
4-Chloro-2,6-diethyl-3-methyl-1,5-dihydropyrrolo[2,3-b]azepine
CID 123926233
7-Chloro-2-methyl-1,5,6,7-tetrahydropyrrolo[2,3-b]azepine
CID 134375817
9-Chloro-2,7-dimethylimidazo[4,5-f]-quinoline
CID 135712931
chloromethane;6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine;ethane
CID 143710899
[(1Z,3Z)-5-[(8-chloro-6,7-dihydroquinolin-2-yl)amino]-3-methylhexa-1,3-dienyl]azanium
CID 144104881
2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine
CID 169254196
(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 6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine?
The IUPAC name of 6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine (CID 143710900) is 6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine?
The canonical SMILES for 6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine is C=C(/C(Cl)=C\C)c1cc2c(nc1=C)NC(C)=NC=2.
What is the InChIKey of 6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine?
The InChIKey is CTBYQMASLNBPAN-WLRTZDKTSA-N. The full InChI is InChI=1S/C14H14ClN3/c1-5-13(15)8(2)12-6-11-7-16-10(4)18-14(11)17-9(12)3/h5-7H,2-3H2,1,4H3,(H,16,17,18)/b13-5+.
What are the key properties of 6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine?
6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine has a molecular weight of 259.74 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3E)-3-chloropenta-1,3-dien-2-yl]-2-methyl-7-methylidene-1H-pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 143710900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).