4-chloro-7-cyclopropyl-2-methylsulfanyl-5,6-dihydropyrrolo[2,3-d]pyrimidine

C10H12ClN3S — CID 56965814

IUPAC4-chloro-7-cyclopropyl-2-methylsulfanyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
SMILESCSc1nc(Cl)c2c(n1)N(C1CC1)CC2
InChIInChI=1S/C10H12ClN3S/c1-15-10-12-8(11)7-4-5-14(6-2-3-6)9(7)13-10/h6H,2-5H2,1H3
InChIKeyMVPQTCPJJQSUDK-UHFFFAOYSA-N
MW241.75 g/mol
LogP2.38
Rot. Bonds2

About 4-chloro-7-cyclopropyl-2-methylsulfanyl-5,6-dihydropyrrolo[2,3-d]pyrimidine

4-chloro-7-cyclopropyl-2-methylsulfanyl-5,6-dihydropyrrolo[2,3-d]pyrimidine (PubChem CID 56965814) has the molecular formula C10H12ClN3S and a molecular weight of 241.75 g/mol. Its IUPAC name is 4-chloro-7-cyclopropyl-2-methylsulfanyl-5,6-dihydropyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-7-cyclopropyl-2-methylsulfanyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
PubChem CID56965814
Molecular FormulaC10H12ClN3S
Molecular Weight241.75 g/mol
Exact Mass241.04
IUPAC Name4-chloro-7-cyclopropyl-2-methylsulfanyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
SMILESCSc1nc(Cl)c2c(n1)N(C1CC1)CC2
InChIInChI=1S/C10H12ClN3S/c1-15-10-12-8(11)7-4-5-14(6-2-3-6)9(7)13-10/h6H,2-5H2,1H3
InChIKeyMVPQTCPJJQSUDK-UHFFFAOYSA-N
XLogP2.38
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.75
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-7-cyclohexyl-6,7-dihydro-2-(methylthio)-(5H)-pyrrolo(2,3-d)pyrimidine
CID 4653747
4-Chloro-6,7-dihydro-2-(methylthio)-5H-pyrrolo(2,3-d)pyrimidine
CID 89175482
4-chloro-5-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 135041506
4-chloro-7-(3,3-difluorocyclobutyl)-2-(methylsulfanyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 118436174
(6R)-4-chloro-6-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 71467127
4-chloro-6-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 78077285
(6S)-4-chloro-6-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 135021648
(6R)-4-chloro-6-ethyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 135041434
4-Chloro-6,7-dihydro-2,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidine
CID 58336173
4-chloro-7-propan-2-yl-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
CID 88533706
4-Chloro-5-iodo-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 89244060
3-(2,4-dichloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-N,N-diethylpropan-1-amine
CID 117906513

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-cyclopropyl-2-methylsulfanyl-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-7-cyclopropyl-2-methylsulfanyl-5,6-dihydropyrrolo[2,3-d]pyrimidine (CID 56965814) is 4-chloro-7-cyclopropyl-2-methylsulfanyl-5,6-dihydropyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-7-cyclopropyl-2-methylsulfanyl-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-7-cyclopropyl-2-methylsulfanyl-5,6-dihydropyrrolo[2,3-d]pyrimidine is CSc1nc(Cl)c2c(n1)N(C1CC1)CC2.
What is the InChIKey of 4-chloro-7-cyclopropyl-2-methylsulfanyl-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The InChIKey is MVPQTCPJJQSUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3S/c1-15-10-12-8(11)7-4-5-14(6-2-3-6)9(7)13-10/h6H,2-5H2,1H3.
What are the key properties of 4-chloro-7-cyclopropyl-2-methylsulfanyl-5,6-dihydropyrrolo[2,3-d]pyrimidine?
4-chloro-7-cyclopropyl-2-methylsulfanyl-5,6-dihydropyrrolo[2,3-d]pyrimidine has a molecular weight of 241.75 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-cyclopropyl-2-methylsulfanyl-5,6-dihydropyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 56965814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).