2-[methoxy(phenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C15H17N3OS — CID 116777350

IUPAC2-[methoxy(phenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(C(OC)c2ccccc2)nc2c1CSC2
InChIInChI=1S/C15H17N3OS/c1-16-14-11-8-20-9-12(11)17-15(18-14)13(19-2)10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3,(H,16,17,18)
InChIKeySPXBNGUHQKKBAX-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.00
Rot. Bonds4

About 2-[methoxy(phenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-[methoxy(phenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 116777350) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-[methoxy(phenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[methoxy(phenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID116777350
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-[methoxy(phenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(C(OC)c2ccccc2)nc2c1CSC2
InChIInChI=1S/C15H17N3OS/c1-16-14-11-8-20-9-12(11)17-15(18-14)13(19-2)10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3,(H,16,17,18)
InChIKeySPXBNGUHQKKBAX-UHFFFAOYSA-N
XLogP3.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-[methoxy(phenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 116776623
2-(2,6-dimethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83200997
2-(2-ethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83200586
[2-[methoxy(phenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 116777438
4-ethyl-2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740817
2-methoxy-5-[4-(methylamino)-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl]phenol
CID 83201653
2-(3-fluoro-4-methoxyphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83200666
5-bromo-3-[methoxy(phenyl)methyl]-1,2,4-thiadiazole
CID 102618231
2-(3-chlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190443
N-(1-phenylethyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine
CID 110432448
4-ethyl-2-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742448
2-(5-ethylfuran-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83201340

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(phenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[methoxy(phenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 116777350) is 2-[methoxy(phenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[methoxy(phenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[methoxy(phenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CNc1nc(C(OC)c2ccccc2)nc2c1CSC2.
What is the InChIKey of 2-[methoxy(phenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is SPXBNGUHQKKBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-16-14-11-8-20-9-12(11)17-15(18-14)13(19-2)10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[methoxy(phenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-[methoxy(phenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 287.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(phenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 116777350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).