4-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-4,7-diamine

C15H15N5S — CID 133407916

IUPAC4-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ccc2c(NCCSc3ccccc3)ncnc2n1
InChIInChI=1S/C15H15N5S/c16-13-7-6-12-14(18-10-19-15(12)20-13)17-8-9-21-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H3,16,17,18,19,20)
InChIKeyINSIAPRKTNYFOG-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.81
Rot. Bonds5

About 4-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-4,7-diamine

4-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 133407916) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 4-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID133407916
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name4-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ccc2c(NCCSc3ccccc3)ncnc2n1
InChIInChI=1S/C15H15N5S/c16-13-7-6-12-14(18-10-19-15(12)20-13)17-8-9-21-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H3,16,17,18,19,20)
InChIKeyINSIAPRKTNYFOG-UHFFFAOYSA-N
XLogP2.81
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407838
4-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407874
4-N-benzhydrylpyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407341
4-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409681
[4-[2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]methanol
CID 133434894
4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409461
4-N-[2-(3-chlorophenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409618
4-N-[2-(1,3-benzothiazol-2-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 86817522
3-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-benzyl-N-methylpropanamide
CID 75434699
3-N-(2-phenylsulfanylethyl)pyrazine-2,3-diamine
CID 113228928
4-N-(cyclopropylmethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408710
4-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133415153

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-4,7-diamine (CID 133407916) is 4-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-4,7-diamine is Nc1ccc2c(NCCSc3ccccc3)ncnc2n1.
What is the InChIKey of 4-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is INSIAPRKTNYFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c16-13-7-6-12-14(18-10-19-15(12)20-13)17-8-9-21-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H3,16,17,18,19,20).
What are the key properties of 4-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 297.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 133407916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).