ethane;7-methylidene-1H-pyrido[2,3-d]pyrimidine

C10H13N3 — CID 145119981

IUPACethane;7-methylidene-1H-pyrido[2,3-d]pyrimidine
SMILESC=c1ccc2c(n1)NC=NC=2.CC
InChIInChI=1S/C8H7N3.C2H6/c1-6-2-3-7-4-9-5-10-8(7)11-6;1-2/h2-5H,1H2,(H,9,10,11);1-2H3
InChIKeyQHXLJLULAPFZBW-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.71
Rot. Bonds

About ethane;7-methylidene-1H-pyrido[2,3-d]pyrimidine

ethane;7-methylidene-1H-pyrido[2,3-d]pyrimidine (PubChem CID 145119981) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is ethane;7-methylidene-1H-pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Nameethane;7-methylidene-1H-pyrido[2,3-d]pyrimidine
PubChem CID145119981
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Nameethane;7-methylidene-1H-pyrido[2,3-d]pyrimidine
SMILESC=c1ccc2c(n1)NC=NC=2.CC
InChIInChI=1S/C8H7N3.C2H6/c1-6-2-3-7-4-9-5-10-8(7)11-6;1-2/h2-5H,1H2,(H,9,10,11);1-2H3
InChIKeyQHXLJLULAPFZBW-UHFFFAOYSA-N
XLogP0.71
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclopenta[g]quinazoline
CID 18925113
Cyclopentaquinazoline
CID 87106084
1H-Cyclohepta[d]pyrimidine
CID 45080488
1,4-dimethyl-5-methylidene-2H-pyrido[2,3-d]pyrimidin-2-ide;yttrium
CID 58666531
6-methyl-7H-pyrido[3,4-d]pyrimidine-4,6-diamine
CID 69961591
4-N,6-dimethyl-7H-pyrido[3,4-d]pyrimidine-4,6-diamine
CID 69988761
6H-pyrimido[4,5-d][2]benzazepine
CID 70499014
1,6-Dihydropyrido[2,3-g]quinazoline
CID 88708143
(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine
CID 89289290
8-Methyl-1,4,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 90291949
1,4,6,7-Tetrahydroquinazoline
CID 91013130
2-[(3E)-4-chloropenta-1,3-dien-2-yl]-1,4-dihydropyrimidine
CID 123798047

Frequently Asked Questions

What is the IUPAC name of ethane;7-methylidene-1H-pyrido[2,3-d]pyrimidine?
The IUPAC name of ethane;7-methylidene-1H-pyrido[2,3-d]pyrimidine (CID 145119981) is ethane;7-methylidene-1H-pyrido[2,3-d]pyrimidine.
What is the SMILES notation for ethane;7-methylidene-1H-pyrido[2,3-d]pyrimidine?
The canonical SMILES for ethane;7-methylidene-1H-pyrido[2,3-d]pyrimidine is C=c1ccc2c(n1)NC=NC=2.CC.
What is the InChIKey of ethane;7-methylidene-1H-pyrido[2,3-d]pyrimidine?
The InChIKey is QHXLJLULAPFZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3.C2H6/c1-6-2-3-7-4-9-5-10-8(7)11-6;1-2/h2-5H,1H2,(H,9,10,11);1-2H3.
What are the key properties of ethane;7-methylidene-1H-pyrido[2,3-d]pyrimidine?
ethane;7-methylidene-1H-pyrido[2,3-d]pyrimidine has a molecular weight of 175.23 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methylidene-1H-pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 145119981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).