N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine

C13H18N4S — CID 62585668

IUPACN-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine
SMILESCNCC1CCCCN1c1ncnc2ccsc12
InChIInChI=1S/C13H18N4S/c1-14-8-10-4-2-3-6-17(10)13-12-11(5-7-18-12)15-9-16-13/h5,7,9-10,14H,2-4,6,8H2,1H3
InChIKeyUAIBOTZLOBQAGJ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.27
Rot. Bonds3

About N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine

N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine (PubChem CID 62585668) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine
PubChem CID62585668
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine
SMILESCNCC1CCCCN1c1ncnc2ccsc12
InChIInChI=1S/C13H18N4S/c1-14-8-10-4-2-3-6-17(10)13-12-11(5-7-18-12)15-9-16-13/h5,7,9-10,14H,2-4,6,8H2,1H3
InChIKeyUAIBOTZLOBQAGJ-UHFFFAOYSA-N
XLogP2.27
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Piperazin-1-yl)thieno[3,2-d]pyrimidine
CID 2760428
N-(3-bromophenyl)thieno[3,2-d]pyrimidin-4-amine
CID 5328383
4U5Bza9NL4
CID 9813424
2-Ethyl-4-pyridin-2-ylthieno[3,2-d]pyrimidine
CID 9964781
N-methylthieno[3,2-d]pyrimidin-4-amine
CID 23273491
3-[methyl-[2-[methyl-(1-Methylpiperidin-4-Yl)amino]thieno[3,2-D]pyrimidin-4-Yl]amino]propanenitrile
CID 75277375
3-[[2-[3-(Dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
CID 146027019
3-[Methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile
CID 146027021
3-[[2-[(1-Ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
CID 146027022
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-phenylthieno[3,2-d]pyrimidin-2-amine
CID 164609501
7-Methyl-4-piperidinothieno[3,2-d]pyrimidine
CID 2808064
N-(1-benzylpiperidin-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 2808818

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine?
The IUPAC name of N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine (CID 62585668) is N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine is CNCC1CCCCN1c1ncnc2ccsc12.
What is the InChIKey of N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine?
The InChIKey is UAIBOTZLOBQAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-14-8-10-4-2-3-6-17(10)13-12-11(5-7-18-12)15-9-16-13/h5,7,9-10,14H,2-4,6,8H2,1H3.
What are the key properties of N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine?
N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine has a molecular weight of 262.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-2-yl)methanamine is sourced from PubChem (CID 62585668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).