7-methyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)thieno[3,2-d]pyrimidine

C16H22N4S — CID 102686848

IUPAC7-methyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)thieno[3,2-d]pyrimidine
SMILESCc1csc2c(N3CCC(C4CCCN4)CC3)ncnc12
InChIInChI=1S/C16H22N4S/c1-11-9-21-15-14(11)18-10-19-16(15)20-7-4-12(5-8-20)13-3-2-6-17-13/h9-10,12-13,17H,2-8H2,1H3
InChIKeyFJUJMKPSFDARBS-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.97
Rot. Bonds2

About 7-methyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)thieno[3,2-d]pyrimidine

7-methyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)thieno[3,2-d]pyrimidine (PubChem CID 102686848) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 7-methyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-methyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)thieno[3,2-d]pyrimidine
PubChem CID102686848
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name7-methyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)thieno[3,2-d]pyrimidine
SMILESCc1csc2c(N3CCC(C4CCCN4)CC3)ncnc12
InChIInChI=1S/C16H22N4S/c1-11-9-21-15-14(11)18-10-19-16(15)20-7-4-12(5-8-20)13-3-2-6-17-13/h9-10,12-13,17H,2-8H2,1H3
InChIKeyFJUJMKPSFDARBS-UHFFFAOYSA-N
XLogP2.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol
CID 102687010
2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine
CID 102687385
4-(4-pyrrolidin-2-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 63256925
4-(4-butylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine
CID 23381410
N,N-dimethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 171691257
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-ol
CID 102687027
7-methyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]thieno[3,2-d]pyrimidine
CID 100700021
[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602843
(3R,4R)-4-(hydroxymethyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-ol
CID 56898903
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 102685906
N-cyclopentyl-2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]acetamide
CID 171994481
2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
CID 102685980

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)thieno[3,2-d]pyrimidine?
The IUPAC name of 7-methyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)thieno[3,2-d]pyrimidine (CID 102686848) is 7-methyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 7-methyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 7-methyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)thieno[3,2-d]pyrimidine is Cc1csc2c(N3CCC(C4CCCN4)CC3)ncnc12.
What is the InChIKey of 7-methyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)thieno[3,2-d]pyrimidine?
The InChIKey is FJUJMKPSFDARBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-11-9-21-15-14(11)18-10-19-16(15)20-7-4-12(5-8-20)13-3-2-6-17-13/h9-10,12-13,17H,2-8H2,1H3.
What are the key properties of 7-methyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)thieno[3,2-d]pyrimidine?
7-methyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)thieno[3,2-d]pyrimidine has a molecular weight of 302.45 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 102686848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).