4-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine

C17H19N5S — CID 133407874

IUPAC4-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCc1ccc(CSCCNc2ncnc3nc(N)ccc23)cc1
InChIInChI=1S/C17H19N5S/c1-12-2-4-13(5-3-12)10-23-9-8-19-16-14-6-7-15(18)22-17(14)21-11-20-16/h2-7,11H,8-10H2,1H3,(H3,18,19,20,21,22)
InChIKeyYAJHBKZQRLIMRO-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.26
Rot. Bonds6

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

4-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 133407874) has the molecular formula C17H19N5S and a molecular weight of 325.44 g/mol. Its IUPAC name is 4-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID133407874
Molecular FormulaC17H19N5S
Molecular Weight325.44 g/mol
Exact Mass325.14
IUPAC Name4-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCc1ccc(CSCCNc2ncnc3nc(N)ccc23)cc1
InChIInChI=1S/C17H19N5S/c1-12-2-4-13(5-3-12)10-23-9-8-19-16-14-6-7-15(18)22-17(14)21-11-20-16/h2-7,11H,8-10H2,1H3,(H3,18,19,20,21,22)
InChIKeyYAJHBKZQRLIMRO-UHFFFAOYSA-N
XLogP3.26
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.26
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-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407916
[4-[2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]methanol
CID 133434894
4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407838
4-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133431146
4-N-[2-(N-ethyl-3-methylanilino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407866
4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408154
4-N-(cyclopropylmethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408710
4-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409681
4-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133415153
4-N-[2-(triazol-1-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133449329
2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide
CID 133407832
4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409461

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine (CID 133407874) is 4-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine is Cc1ccc(CSCCNc2ncnc3nc(N)ccc23)cc1.
What is the InChIKey of 4-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is YAJHBKZQRLIMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5S/c1-12-2-4-13(5-3-12)10-23-9-8-19-16-14-6-7-15(18)22-17(14)21-11-20-16/h2-7,11H,8-10H2,1H3,(H3,18,19,20,21,22).
What are the key properties of 4-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 325.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 133407874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).