N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-ylpyrimidin-4-amine

C16H22N4S — CID 80961424

IUPACN-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(N2CCc3sccc3C2C)nc(C(C)C)n1
InChIInChI=1S/C16H22N4S/c1-10(2)16-18-14(17-4)9-15(19-16)20-7-5-13-12(11(20)3)6-8-21-13/h6,8-11H,5,7H2,1-4H3,(H,17,18,19)
InChIKeyDLBMUBOFXPWHJR-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.83
Rot. Bonds3

About N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-ylpyrimidin-4-amine

N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80961424) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80961424
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC NameN-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(N2CCc3sccc3C2C)nc(C(C)C)n1
InChIInChI=1S/C16H22N4S/c1-10(2)16-18-14(17-4)9-15(19-16)20-7-5-13-12(11(20)3)6-8-21-13/h6,8-11H,5,7H2,1-4H3,(H,17,18,19)
InChIKeyDLBMUBOFXPWHJR-UHFFFAOYSA-N
XLogP3.83
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-ylpyrimidin-4-amine with MolForge

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Related Compounds

[6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propylpyrimidin-4-yl]hydrazine
CID 80942820
5-(2-chloro-6-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 62482407
2-cyclopropyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-4-amine
CID 80961425
4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine
CID 80815106
N-methyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
CID 104533834
4-chloro-N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,5-triazin-2-amine
CID 80815263
N-methyl-1-[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanamine
CID 62753226
1-[3-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyridinyl]-N-methylmethanamine
CID 62281459
N-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80956947
6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-2-carboxylic acid
CID 62239218
5-(6-fluoropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 115416778
6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propylpyrazin-2-amine
CID 80814490

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-ylpyrimidin-4-amine (CID 80961424) is N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-ylpyrimidin-4-amine is CNc1cc(N2CCc3sccc3C2C)nc(C(C)C)n1.
What is the InChIKey of N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is DLBMUBOFXPWHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-10(2)16-18-14(17-4)9-15(19-16)20-7-5-13-12(11(20)3)6-8-21-13/h6,8-11H,5,7H2,1-4H3,(H,17,18,19).
What are the key properties of N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-ylpyrimidin-4-amine?
N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 302.45 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80961424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).