N-benzyl-2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-amine;ethane

C23H32N4S — CID 155686483

IUPACN-benzyl-2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-amine;ethane
SMILESCC.CC.Cc1nc(NCc2ccccc2)c2sc(C3=CCNCC3)cc2n1
InChIInChI=1S/C19H20N4S.2C2H6/c1-13-22-16-11-17(15-7-9-20-10-8-15)24-18(16)19(23-13)21-12-14-5-3-2-4-6-14;2*1-2/h2-7,11,20H,8-10,12H2,1H3,(H,21,22,23);2*1-2H3
InChIKeyKNEAUEIQZJMLEE-UHFFFAOYSA-N
MW396.60 g/mol
LogP6.04
Rot. Bonds4

About N-benzyl-2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-amine;ethane

N-benzyl-2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-amine;ethane (PubChem CID 155686483) has the molecular formula C23H32N4S and a molecular weight of 396.60 g/mol. Its IUPAC name is N-benzyl-2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-amine;ethane.

Molecular Properties

Compound NameN-benzyl-2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-amine;ethane
PubChem CID155686483
Molecular FormulaC23H32N4S
Molecular Weight396.60 g/mol
Exact Mass396.23
IUPAC NameN-benzyl-2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-amine;ethane
SMILESCC.CC.Cc1nc(NCc2ccccc2)c2sc(C3=CCNCC3)cc2n1
InChIInChI=1S/C19H20N4S.2C2H6/c1-13-22-16-11-17(15-7-9-20-10-8-15)24-18(16)19(23-13)21-12-14-5-3-2-4-6-14;2*1-2/h2-7,11,20H,8-10,12H2,1H3,(H,21,22,23);2*1-2H3
InChIKeyKNEAUEIQZJMLEE-UHFFFAOYSA-N
XLogP6.04
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.60
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-amine;ethane?
The IUPAC name of N-benzyl-2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-amine;ethane (CID 155686483) is N-benzyl-2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-amine;ethane.
What is the SMILES notation for N-benzyl-2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-amine;ethane?
The canonical SMILES for N-benzyl-2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-amine;ethane is CC.CC.Cc1nc(NCc2ccccc2)c2sc(C3=CCNCC3)cc2n1.
What is the InChIKey of N-benzyl-2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-amine;ethane?
The InChIKey is KNEAUEIQZJMLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4S.2C2H6/c1-13-22-16-11-17(15-7-9-20-10-8-15)24-18(16)19(23-13)21-12-14-5-3-2-4-6-14;2*1-2/h2-7,11,20H,8-10,12H2,1H3,(H,21,22,23);2*1-2H3.
What are the key properties of N-benzyl-2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-amine;ethane?
N-benzyl-2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-amine;ethane has a molecular weight of 396.60 g/mol, XLogP of 6.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-amine;ethane is sourced from PubChem (CID 155686483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).