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

C16H22N4S — CID 100700021

IUPAC7-methyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]thieno[3,2-d]pyrimidine
SMILESCc1csc2c(N3CCC[C@@H](N4CCCC4)C3)ncnc12
InChIInChI=1S/C16H22N4S/c1-12-10-21-15-14(12)17-11-18-16(15)20-8-4-5-13(9-20)19-6-2-3-7-19/h10-11,13H,2-9H2,1H3/t13-/m1/s1
InChIKeyAWZQNYGZCZIWEM-CYBMUJFWSA-N
MW302.45 g/mol
LogP3.06
Rot. Bonds2

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

7-methyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]thieno[3,2-d]pyrimidine (PubChem CID 100700021) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 7-methyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-methyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]thieno[3,2-d]pyrimidine
PubChem CID100700021
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name7-methyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]thieno[3,2-d]pyrimidine
SMILESCc1csc2c(N3CCC[C@@H](N4CCCC4)C3)ncnc12
InChIInChI=1S/C16H22N4S/c1-12-10-21-15-14(12)17-11-18-16(15)20-8-4-5-13(9-20)19-6-2-3-7-19/h10-11,13H,2-9H2,1H3/t13-/m1/s1
InChIKeyAWZQNYGZCZIWEM-CYBMUJFWSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 102685906
ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 102687115
[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602843
7-methyl-4-[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine
CID 171691654
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol
CID 102687010
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-(oxan-4-yl)piperidine-3-carboxamide
CID 166604692
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-ol
CID 102687027
N-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-amine
CID 172894816
(3R,4R)-4-(hydroxymethyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-ol
CID 56898903
(3R)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide
CID 100640119
[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methanol
CID 102687035
(2S,6R)-2,6-dimethyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholine
CID 6923426

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 7-methyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]thieno[3,2-d]pyrimidine (CID 100700021) is 7-methyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 7-methyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 7-methyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]thieno[3,2-d]pyrimidine is Cc1csc2c(N3CCC[C@@H](N4CCCC4)C3)ncnc12.
What is the InChIKey of 7-methyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]thieno[3,2-d]pyrimidine?
The InChIKey is AWZQNYGZCZIWEM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4S/c1-12-10-21-15-14(12)17-11-18-16(15)20-8-4-5-13(9-20)19-6-2-3-7-19/h10-11,13H,2-9H2,1H3/t13-/m1/s1.
What are the key properties of 7-methyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]thieno[3,2-d]pyrimidine?
7-methyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]thieno[3,2-d]pyrimidine has a molecular weight of 302.45 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 100700021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).