ethane;6-phenylpyrido[2,3-d]pyrimidine-2,7-diamine

C15H17N5 — CID 91413319

IUPACethane;6-phenylpyrido[2,3-d]pyrimidine-2,7-diamine
SMILESCC.Nc1ncc2cc(-c3ccccc3)c(N)nc2n1
InChIInChI=1S/C13H11N5.C2H6/c14-11-10(8-4-2-1-3-5-8)6-9-7-16-13(15)18-12(9)17-11;1-2/h1-7H,(H4,14,15,16,17,18);1-2H3
InChIKeyHFHKCNVWOKHQBD-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.88
Rot. Bonds1

About ethane;6-phenylpyrido[2,3-d]pyrimidine-2,7-diamine

ethane;6-phenylpyrido[2,3-d]pyrimidine-2,7-diamine (PubChem CID 91413319) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is ethane;6-phenylpyrido[2,3-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Nameethane;6-phenylpyrido[2,3-d]pyrimidine-2,7-diamine
PubChem CID91413319
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Nameethane;6-phenylpyrido[2,3-d]pyrimidine-2,7-diamine
SMILESCC.Nc1ncc2cc(-c3ccccc3)c(N)nc2n1
InChIInChI=1S/C13H11N5.C2H6/c14-11-10(8-4-2-1-3-5-8)6-9-7-16-13(15)18-12(9)17-11;1-2/h1-7H,(H4,14,15,16,17,18);1-2H3
InChIKeyHFHKCNVWOKHQBD-UHFFFAOYSA-N
XLogP2.88
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-1,6-naphthyridine-2,7-diamine
CID 5328990
[4-(2-amino-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methylazanium
CID 58524836
pyrimido[4,5-b]quinolin-2-amine
CID 10987174
4-chloro-5-phenylpyrimidin-2-amine
CID 89417218
3-phenylquinolin-2-amine;hydrochloride
CID 43865994
7-[4-(aminomethyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 171929298
2-ethyl-5-phenylpyrimidin-4-amine
CID 62900948
5-phenylpyridine-2,4-diamine
CID 118999182
4-phenylpyrimidine-2,5-diamine
CID 89253384
5-(4-methylphenyl)-2-phenylpyrimidin-4-amine
CID 62900567
4-methyl-5-(4-phenylphenyl)pyridin-2-amine
CID 79729519
5-pyridin-3-ylpyrimidine-2,4-diamine
CID 118493821

Frequently Asked Questions

What is the IUPAC name of ethane;6-phenylpyrido[2,3-d]pyrimidine-2,7-diamine?
The IUPAC name of ethane;6-phenylpyrido[2,3-d]pyrimidine-2,7-diamine (CID 91413319) is ethane;6-phenylpyrido[2,3-d]pyrimidine-2,7-diamine.
What is the SMILES notation for ethane;6-phenylpyrido[2,3-d]pyrimidine-2,7-diamine?
The canonical SMILES for ethane;6-phenylpyrido[2,3-d]pyrimidine-2,7-diamine is CC.Nc1ncc2cc(-c3ccccc3)c(N)nc2n1.
What is the InChIKey of ethane;6-phenylpyrido[2,3-d]pyrimidine-2,7-diamine?
The InChIKey is HFHKCNVWOKHQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5.C2H6/c14-11-10(8-4-2-1-3-5-8)6-9-7-16-13(15)18-12(9)17-11;1-2/h1-7H,(H4,14,15,16,17,18);1-2H3.
What are the key properties of ethane;6-phenylpyrido[2,3-d]pyrimidine-2,7-diamine?
ethane;6-phenylpyrido[2,3-d]pyrimidine-2,7-diamine has a molecular weight of 267.34 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-phenylpyrido[2,3-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 91413319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).