6-chloro-5-ethyl-N-(thiolan-3-yl)pyrimidin-4-amine

C10H14ClN3S — CID 103064329

IUPAC6-chloro-5-ethyl-N-(thiolan-3-yl)pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NC1CCSC1
InChIInChI=1S/C10H14ClN3S/c1-2-8-9(11)12-6-13-10(8)14-7-3-4-15-5-7/h6-7H,2-5H2,1H3,(H,12,13,14)
InChIKeyNSUCMECBAWOJFZ-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.61
Rot. Bonds3

About 6-chloro-5-ethyl-N-(thiolan-3-yl)pyrimidin-4-amine

6-chloro-5-ethyl-N-(thiolan-3-yl)pyrimidin-4-amine (PubChem CID 103064329) has the molecular formula C10H14ClN3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-(thiolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-(thiolan-3-yl)pyrimidin-4-amine
PubChem CID103064329
Molecular FormulaC10H14ClN3S
Molecular Weight243.76 g/mol
Exact Mass243.06
IUPAC Name6-chloro-5-ethyl-N-(thiolan-3-yl)pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NC1CCSC1
InChIInChI=1S/C10H14ClN3S/c1-2-8-9(11)12-6-13-10(8)14-7-3-4-15-5-7/h6-7H,2-5H2,1H3,(H,12,13,14)
InChIKeyNSUCMECBAWOJFZ-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N-(thiolan-3-yl)pyrimidin-4-amine (CID 103064329) is 6-chloro-5-ethyl-N-(thiolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N-(thiolan-3-yl)pyrimidin-4-amine is CCc1c(Cl)ncnc1NC1CCSC1.
What is the InChIKey of 6-chloro-5-ethyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The InChIKey is NSUCMECBAWOJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3S/c1-2-8-9(11)12-6-13-10(8)14-7-3-4-15-5-7/h6-7H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 6-chloro-5-ethyl-N-(thiolan-3-yl)pyrimidin-4-amine?
6-chloro-5-ethyl-N-(thiolan-3-yl)pyrimidin-4-amine has a molecular weight of 243.76 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N-(thiolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 103064329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).