4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]quinazoline

C13H15N3S — CID 102820335

IUPAC4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]quinazoline
SMILESc1ccc2c(SC[C@H]3CCCN3)ncnc2c1
InChIInChI=1S/C13H15N3S/c1-2-6-12-11(5-1)13(16-9-15-12)17-8-10-4-3-7-14-10/h1-2,5-6,9-10,14H,3-4,7-8H2/t10-/m1/s1
InChIKeyVPOZQGPMEYDOOO-SNVBAGLBSA-N
MW245.35 g/mol
LogP2.47
Rot. Bonds3

About 4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]quinazoline

4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]quinazoline (PubChem CID 102820335) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]quinazoline.

Molecular Properties

Compound Name4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]quinazoline
PubChem CID102820335
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]quinazoline
SMILESc1ccc2c(SC[C@H]3CCCN3)ncnc2c1
InChIInChI=1S/C13H15N3S/c1-2-6-12-11(5-1)13(16-9-15-12)17-8-10-4-3-7-14-10/h1-2,5-6,9-10,14H,3-4,7-8H2/t10-/m1/s1
InChIKeyVPOZQGPMEYDOOO-SNVBAGLBSA-N
XLogP2.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-3-(piperidin-2-ylmethylsulfanyl)quinoxaline;hydrochloride
CID 71639820
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinazolin-4-amine
CID 106620526
1-cyclohexyl-2-quinazolin-4-ylsulfanylethanamine
CID 104755506
4-cyclopentylsulfanylquinazoline
CID 7160394
N-cyclopropyl-N-(piperidin-2-ylmethyl)quinazolin-4-amine
CID 106640940
2-(pyrrolidin-2-ylmethylsulfanyl)pyridine-3-carbonitrile
CID 71643645
4-[[4-(quinazolin-4-ylsulfanylmethyl)phenyl]methylsulfanyl]quinazoline
CID 4851541
4-(3-bromopropylsulfanyl)quinazoline
CID 60895646
4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 102820373
4-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 97164036
3-amino-3-cyclopropyl-2-quinazolin-4-ylsulfanylpropan-1-ol
CID 114370350
N-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2410535

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]quinazoline?
The IUPAC name of 4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]quinazoline (CID 102820335) is 4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]quinazoline.
What is the SMILES notation for 4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]quinazoline?
The canonical SMILES for 4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]quinazoline is c1ccc2c(SC[C@H]3CCCN3)ncnc2c1.
What is the InChIKey of 4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]quinazoline?
The InChIKey is VPOZQGPMEYDOOO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15N3S/c1-2-6-12-11(5-1)13(16-9-15-12)17-8-10-4-3-7-14-10/h1-2,5-6,9-10,14H,3-4,7-8H2/t10-/m1/s1.
What are the key properties of 4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]quinazoline?
4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]quinazoline has a molecular weight of 245.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]quinazoline is sourced from PubChem (CID 102820335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).