N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine

C15H17N3O3S — CID 24737637

IUPACN-(3,5-dimethoxyphenyl)-2-methylsulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2nc(SC)nc3c2COC3)cc(OC)c1
InChIInChI=1S/C15H17N3O3S/c1-19-10-4-9(5-11(6-10)20-2)16-14-12-7-21-8-13(12)17-15(18-14)22-3/h4-6H,7-8H2,1-3H3,(H,16,17,18)
InChIKeyHOKOQIVXCNAGHP-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.99
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine

N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine (PubChem CID 24737637) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-methylsulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
PubChem CID24737637
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-(3,5-dimethoxyphenyl)-2-methylsulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2nc(SC)nc3c2COC3)cc(OC)c1
InChIInChI=1S/C15H17N3O3S/c1-19-10-4-9(5-11(6-10)20-2)16-14-12-7-21-8-13(12)17-15(18-14)22-3/h4-6H,7-8H2,1-3H3,(H,16,17,18)
InChIKeyHOKOQIVXCNAGHP-UHFFFAOYSA-N
XLogP2.99
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine (CID 24737637) is N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine is COc1cc(Nc2nc(SC)nc3c2COC3)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
The InChIKey is HOKOQIVXCNAGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-19-10-4-9(5-11(6-10)20-2)16-14-12-7-21-8-13(12)17-15(18-14)22-3/h4-6H,7-8H2,1-3H3,(H,16,17,18).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine?
N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine has a molecular weight of 319.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-methylsulfanyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24737637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).