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

C16H22N4S — CID 83179774

IUPACN-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(N2CCc3sccc3C2)ncc1CNC(C)C
InChIInChI=1S/C16H22N4S/c1-11(2)17-8-14-9-18-16(19-12(14)3)20-6-4-15-13(10-20)5-7-21-15/h5,7,9,11,17H,4,6,8,10H2,1-3H3
InChIKeyBOYJIPMRBIUOMR-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.91
Rot. Bonds4

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

N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 83179774) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
PubChem CID83179774
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC NameN-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(N2CCc3sccc3C2)ncc1CNC(C)C
InChIInChI=1S/C16H22N4S/c1-11(2)17-8-14-9-18-16(19-12(14)3)20-6-4-15-13(10-20)5-7-21-15/h5,7,9,11,17H,4,6,8,10H2,1-3H3
InChIKeyBOYJIPMRBIUOMR-UHFFFAOYSA-N
XLogP2.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine (CID 83179774) is N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine is Cc1nc(N2CCc3sccc3C2)ncc1CNC(C)C.
What is the InChIKey of N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is BOYJIPMRBIUOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-11(2)17-8-14-9-18-16(19-12(14)3)20-6-4-15-13(10-20)5-7-21-15/h5,7,9,11,17H,4,6,8,10H2,1-3H3.
What are the key properties of N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 302.45 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 83179774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).