ethane;2-methyl-4-phenylpyrido[2,3-d]pyrimidine

C16H17N3 — CID 142519146

IUPACethane;2-methyl-4-phenylpyrido[2,3-d]pyrimidine
SMILESCC.Cc1nc(-c2ccccc2)c2cccnc2n1
InChIInChI=1S/C14H11N3.C2H6/c1-10-16-13(11-6-3-2-4-7-11)12-8-5-9-15-14(12)17-10;1-2/h2-9H,1H3;1-2H3
InChIKeyKIKYAJOHCRNGSF-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.03
Rot. Bonds1

About ethane;2-methyl-4-phenylpyrido[2,3-d]pyrimidine

ethane;2-methyl-4-phenylpyrido[2,3-d]pyrimidine (PubChem CID 142519146) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethane;2-methyl-4-phenylpyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Nameethane;2-methyl-4-phenylpyrido[2,3-d]pyrimidine
PubChem CID142519146
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Nameethane;2-methyl-4-phenylpyrido[2,3-d]pyrimidine
SMILESCC.Cc1nc(-c2ccccc2)c2cccnc2n1
InChIInChI=1S/C14H11N3.C2H6/c1-10-16-13(11-6-3-2-4-7-11)12-8-5-9-15-14(12)17-10;1-2/h2-9H,1H3;1-2H3
InChIKeyKIKYAJOHCRNGSF-UHFFFAOYSA-N
XLogP4.03
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(3-phenylphenyl)pyrido[2,3-d]pyrimidine
CID 144858513
2-chloro-4-(3-phenylphenyl)pyrido[2,3-d]pyrimidine
CID 118874953
4-(2-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)benzonitrile
CID 138708647
2-(6-bromonaphthalen-2-yl)-4-phenylpyrido[2,3-d]pyrimidine
CID 139327751
2-methyl-4,6-diphenylbenzo[h]quinazoline
CID 157187450
ethane;4-methyl-1,8-naphthyridine
CID 143124676
2,5-dimethyl-4-phenylpyrimidine;ethane
CID 143883358
2-methyl-4-phenylphenanthro[9,10-d]pyrimidine
CID 140928944
2-methyl-4-phenyl-6-(4-phenylphenyl)quinazoline
CID 161216404
2,3-diphenylpyrazino[2,3-b]pyrazine
CID 141468009
2-methyl-4,10-diphenylbenzo[g]quinazoline
CID 160887193
2-methyl-4-phenyl-8-(trifluoromethyl)quinazoline
CID 68735637

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4-phenylpyrido[2,3-d]pyrimidine?
The IUPAC name of ethane;2-methyl-4-phenylpyrido[2,3-d]pyrimidine (CID 142519146) is ethane;2-methyl-4-phenylpyrido[2,3-d]pyrimidine.
What is the SMILES notation for ethane;2-methyl-4-phenylpyrido[2,3-d]pyrimidine?
The canonical SMILES for ethane;2-methyl-4-phenylpyrido[2,3-d]pyrimidine is CC.Cc1nc(-c2ccccc2)c2cccnc2n1.
What is the InChIKey of ethane;2-methyl-4-phenylpyrido[2,3-d]pyrimidine?
The InChIKey is KIKYAJOHCRNGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3.C2H6/c1-10-16-13(11-6-3-2-4-7-11)12-8-5-9-15-14(12)17-10;1-2/h2-9H,1H3;1-2H3.
What are the key properties of ethane;2-methyl-4-phenylpyrido[2,3-d]pyrimidine?
ethane;2-methyl-4-phenylpyrido[2,3-d]pyrimidine has a molecular weight of 251.33 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4-phenylpyrido[2,3-d]pyrimidine is sourced from PubChem (CID 142519146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).