2-cyclopropyl-4-(4-methylsulfanylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine

C15H20N4S — CID 136557272

IUPAC2-cyclopropyl-4-(4-methylsulfanylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCSC1CCN(c2nc(C3CC3)nc3[nH]ccc23)CC1
InChIInChI=1S/C15H20N4S/c1-20-11-5-8-19(9-6-11)15-12-4-7-16-14(12)17-13(18-15)10-2-3-10/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H,16,17,18)
InChIKeyTWLVOZZYGCMTED-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.17
Rot. Bonds3

About 2-cyclopropyl-4-(4-methylsulfanylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine

2-cyclopropyl-4-(4-methylsulfanylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 136557272) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-cyclopropyl-4-(4-methylsulfanylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-(4-methylsulfanylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID136557272
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name2-cyclopropyl-4-(4-methylsulfanylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCSC1CCN(c2nc(C3CC3)nc3[nH]ccc23)CC1
InChIInChI=1S/C15H20N4S/c1-20-11-5-8-19(9-6-11)15-12-4-7-16-14(12)17-13(18-15)10-2-3-10/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H,16,17,18)
InChIKeyTWLVOZZYGCMTED-UHFFFAOYSA-N
XLogP3.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cis-3-(Methyl(7H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)cyclobutyl)-1-propanesulfonamide
CID 78323835
7-Deazaadenine
CID 5359620
Oclacitinib
CID 44631938
6-Pyrrolidino-7-deazapurine
CID 4428602
4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 18008465
N-methyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 12662864
4-(Pyrrolidin-1-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-2-Amine
CID 71138081
4-(2,5-dimethylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 9815801
4-(3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 9859224
1-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 11564772
(1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl)methanamine
CID 11564882
N-cyclohexyl-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 12083227

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(4-methylsulfanylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-cyclopropyl-4-(4-methylsulfanylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (CID 136557272) is 2-cyclopropyl-4-(4-methylsulfanylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-(4-methylsulfanylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-(4-methylsulfanylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is CSC1CCN(c2nc(C3CC3)nc3[nH]ccc23)CC1.
What is the InChIKey of 2-cyclopropyl-4-(4-methylsulfanylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is TWLVOZZYGCMTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-20-11-5-8-19(9-6-11)15-12-4-7-16-14(12)17-13(18-15)10-2-3-10/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-4-(4-methylsulfanylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
2-cyclopropyl-4-(4-methylsulfanylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 288.42 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(4-methylsulfanylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 136557272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).