N-[2-[4-[(3-methoxy-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethyl]pteridin-4-amine

C17H15N7O2S — CID 58174143

IUPACN-[2-[4-[(3-methoxy-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethyl]pteridin-4-amine
SMILESCOc1nsc(Oc2ccc(CCNc3ncnc4nccnc34)cc2)n1
InChIInChI=1S/C17H15N7O2S/c1-25-16-23-17(27-24-16)26-12-4-2-11(3-5-12)6-7-19-14-13-15(22-10-21-14)20-9-8-18-13/h2-5,8-10H,6-7H2,1H3,(H,19,20,21,22)
InChIKeyMYSVZQYDKFWSRX-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.73
Rot. Bonds7

About N-[2-[4-[(3-methoxy-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethyl]pteridin-4-amine

N-[2-[4-[(3-methoxy-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethyl]pteridin-4-amine (PubChem CID 58174143) has the molecular formula C17H15N7O2S and a molecular weight of 381.42 g/mol. Its IUPAC name is N-[2-[4-[(3-methoxy-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethyl]pteridin-4-amine.

Molecular Properties

Compound NameN-[2-[4-[(3-methoxy-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethyl]pteridin-4-amine
PubChem CID58174143
Molecular FormulaC17H15N7O2S
Molecular Weight381.42 g/mol
Exact Mass381.10
IUPAC NameN-[2-[4-[(3-methoxy-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethyl]pteridin-4-amine
SMILESCOc1nsc(Oc2ccc(CCNc3ncnc4nccnc34)cc2)n1
InChIInChI=1S/C17H15N7O2S/c1-25-16-23-17(27-24-16)26-12-4-2-11(3-5-12)6-7-19-14-13-15(22-10-21-14)20-9-8-18-13/h2-5,8-10H,6-7H2,1H3,(H,19,20,21,22)
InChIKeyMYSVZQYDKFWSRX-UHFFFAOYSA-N
XLogP2.73
TPSA107.83 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]pteridin-4-amine
CID 58174186
N-[2-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine
CID 58174220
N-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
CID 51000642
N-[2-[4-[(3,5,6-trifluoro-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine
CID 58174056
N-[2-(3-bromo-4-methoxyphenyl)ethyl]pteridin-4-amine
CID 58174262
N-[2-(4-phenylphenyl)ethyl]pteridin-4-amine
CID 58174286
N-[2-[4-[[2-chloro-4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
CID 58174236
N-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine;N-[2-[4-[4-(1,1-difluoroethyl)-1-oxidopyridin-1-ium-2-yl]oxyphenyl]ethyl]pteridin-4-amine
CID 159535284
2-methyl-4-[2-(pteridin-4-ylamino)ethyl]phenol
CID 58174107
N-(2-methoxyethyl)pteridin-4-amine
CID 35197462
N-[2-[4-[2-(4-phenylmethoxyphenyl)ethoxy]phenyl]ethyl]pteridin-4-amine;4-[2-(pteridin-4-ylamino)ethyl]phenol
CID 161366630
N-[2-[3-[(4-iodo-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine
CID 58174149

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3-methoxy-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethyl]pteridin-4-amine?
The IUPAC name of N-[2-[4-[(3-methoxy-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethyl]pteridin-4-amine (CID 58174143) is N-[2-[4-[(3-methoxy-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethyl]pteridin-4-amine.
What is the SMILES notation for N-[2-[4-[(3-methoxy-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethyl]pteridin-4-amine?
The canonical SMILES for N-[2-[4-[(3-methoxy-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethyl]pteridin-4-amine is COc1nsc(Oc2ccc(CCNc3ncnc4nccnc34)cc2)n1.
What is the InChIKey of N-[2-[4-[(3-methoxy-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethyl]pteridin-4-amine?
The InChIKey is MYSVZQYDKFWSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O2S/c1-25-16-23-17(27-24-16)26-12-4-2-11(3-5-12)6-7-19-14-13-15(22-10-21-14)20-9-8-18-13/h2-5,8-10H,6-7H2,1H3,(H,19,20,21,22).
What are the key properties of N-[2-[4-[(3-methoxy-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethyl]pteridin-4-amine?
N-[2-[4-[(3-methoxy-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethyl]pteridin-4-amine has a molecular weight of 381.42 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3-methoxy-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethyl]pteridin-4-amine is sourced from PubChem (CID 58174143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).