N-butyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine

C13H18N4S — CID 24777501

IUPACN-butyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine
SMILESCCCCNc1nc(SCC)nc2ncccc12
InChIInChI=1S/C13H18N4S/c1-3-5-8-14-11-10-7-6-9-15-12(10)17-13(16-11)18-4-2/h6-7,9H,3-5,8H2,1-2H3,(H,14,15,16,17)
InChIKeyLFSKBZRFJPYQGK-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.35
Rot. Bonds6

About N-butyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine

N-butyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 24777501) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-butyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID24777501
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-butyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine
SMILESCCCCNc1nc(SCC)nc2ncccc12
InChIInChI=1S/C13H18N4S/c1-3-5-8-14-11-10-7-6-9-15-12(10)17-13(16-11)18-4-2/h6-7,9H,3-5,8H2,1-2H3,(H,14,15,16,17)
InChIKeyLFSKBZRFJPYQGK-UHFFFAOYSA-N
XLogP3.35
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Tasuldine
CID 65666
6-Methyl-N4-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 2725571
({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)[2-(pyridin-3-yl)ethyl]amine
CID 24971389
N-benzyl-2-thiomorpholinopyrimidin-4-amine
CID 46871648
2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 56969052
4-n-Butylamino-2-methylthiopyrido(2,3-d)pyrimidine
CID 175082
5-Methyl-6-phenylaminomethyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 472906
6-(Anilinomethyl)pyrido[2,3-d]pyrimidine-2,4-diamine
CID 511804
MD 39-AM
CID 175083
1,8-Naphthyridin-4-amine
CID 12422525
N-benzylpyrido[2,3-d]pyrimidin-4-amine
CID 5328265
Pyrido(2,3-d)pyrimidine-2,4-diamine, 5-methyl-6-((phenylthio)methyl)-
CID 464975

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-butyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine (CID 24777501) is N-butyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-butyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-butyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine is CCCCNc1nc(SCC)nc2ncccc12.
What is the InChIKey of N-butyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is LFSKBZRFJPYQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-3-5-8-14-11-10-7-6-9-15-12(10)17-13(16-11)18-4-2/h6-7,9H,3-5,8H2,1-2H3,(H,14,15,16,17).
What are the key properties of N-butyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine?
N-butyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 262.38 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-ethylsulfanylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 24777501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).