4-chloro-6-methyl-2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine

C10H14ClN3S — CID 97163214

IUPAC4-chloro-6-methyl-2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine
SMILESCc1cc(Cl)nc(SC[C@H]2CCNC2)n1
InChIInChI=1S/C10H14ClN3S/c1-7-4-9(11)14-10(13-7)15-6-8-2-3-12-5-8/h4,8,12H,2-3,5-6H2,1H3/t8-/m0/s1
InChIKeyHQEUXZVVBLZPMU-QMMMGPOBSA-N
MW243.76 g/mol
LogP2.14
Rot. Bonds3

About 4-chloro-6-methyl-2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine

4-chloro-6-methyl-2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine (PubChem CID 97163214) has the molecular formula C10H14ClN3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine
PubChem CID97163214
Molecular FormulaC10H14ClN3S
Molecular Weight243.76 g/mol
Exact Mass243.06
IUPAC Name4-chloro-6-methyl-2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine
SMILESCc1cc(Cl)nc(SC[C@H]2CCNC2)n1
InChIInChI=1S/C10H14ClN3S/c1-7-4-9(11)14-10(13-7)15-6-8-2-3-12-5-8/h4,8,12H,2-3,5-6H2,1H3/t8-/m0/s1
InChIKeyHQEUXZVVBLZPMU-QMMMGPOBSA-N
XLogP2.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine (CID 97163214) is 4-chloro-6-methyl-2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine is Cc1cc(Cl)nc(SC[C@H]2CCNC2)n1.
What is the InChIKey of 4-chloro-6-methyl-2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine?
The InChIKey is HQEUXZVVBLZPMU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14ClN3S/c1-7-4-9(11)14-10(13-7)15-6-8-2-3-12-5-8/h4,8,12H,2-3,5-6H2,1H3/t8-/m0/s1.
What are the key properties of 4-chloro-6-methyl-2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine?
4-chloro-6-methyl-2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine has a molecular weight of 243.76 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine is sourced from PubChem (CID 97163214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).