6-chloro-5-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine

C11H13ClN4S — CID 63826299

IUPAC6-chloro-5-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NCCc1cscn1
InChIInChI=1S/C11H13ClN4S/c1-2-9-10(12)14-6-15-11(9)13-4-3-8-5-17-7-16-8/h5-7H,2-4H2,1H3,(H,13,14,15)
InChIKeyOKRRXILIHVEPBG-UHFFFAOYSA-N
MW268.77 g/mol
LogP2.80
Rot. Bonds5

About 6-chloro-5-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine

6-chloro-5-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 63826299) has the molecular formula C11H13ClN4S and a molecular weight of 268.77 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
PubChem CID63826299
Molecular FormulaC11H13ClN4S
Molecular Weight268.77 g/mol
Exact Mass268.05
IUPAC Name6-chloro-5-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NCCc1cscn1
InChIInChI=1S/C11H13ClN4S/c1-2-9-10(12)14-6-15-11(9)13-4-3-8-5-17-7-16-8/h5-7H,2-4H2,1H3,(H,13,14,15)
InChIKeyOKRRXILIHVEPBG-UHFFFAOYSA-N
XLogP2.80
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine (CID 63826299) is 6-chloro-5-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine is CCc1c(Cl)ncnc1NCCc1cscn1.
What is the InChIKey of 6-chloro-5-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is OKRRXILIHVEPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4S/c1-2-9-10(12)14-6-15-11(9)13-4-3-8-5-17-7-16-8/h5-7H,2-4H2,1H3,(H,13,14,15).
What are the key properties of 6-chloro-5-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
6-chloro-5-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 268.77 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 63826299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).