6-chloro-N,2,5-trimethyl-N-(thiolan-3-yl)pyrimidin-4-amine

C11H16ClN3S — CID 63728069

IUPAC6-chloro-N,2,5-trimethyl-N-(thiolan-3-yl)pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(N(C)C2CCSC2)n1
InChIInChI=1S/C11H16ClN3S/c1-7-10(12)13-8(2)14-11(7)15(3)9-4-5-16-6-9/h9H,4-6H2,1-3H3
InChIKeyPFVUCPXXVDJOOA-UHFFFAOYSA-N
MW257.79 g/mol
LogP2.69
Rot. Bonds2

About 6-chloro-N,2,5-trimethyl-N-(thiolan-3-yl)pyrimidin-4-amine

6-chloro-N,2,5-trimethyl-N-(thiolan-3-yl)pyrimidin-4-amine (PubChem CID 63728069) has the molecular formula C11H16ClN3S and a molecular weight of 257.79 g/mol. Its IUPAC name is 6-chloro-N,2,5-trimethyl-N-(thiolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,2,5-trimethyl-N-(thiolan-3-yl)pyrimidin-4-amine
PubChem CID63728069
Molecular FormulaC11H16ClN3S
Molecular Weight257.79 g/mol
Exact Mass257.08
IUPAC Name6-chloro-N,2,5-trimethyl-N-(thiolan-3-yl)pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(N(C)C2CCSC2)n1
InChIInChI=1S/C11H16ClN3S/c1-7-10(12)13-8(2)14-11(7)15(3)9-4-5-16-6-9/h9H,4-6H2,1-3H3
InChIKeyPFVUCPXXVDJOOA-UHFFFAOYSA-N
XLogP2.69
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,2,5-trimethyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N,2,5-trimethyl-N-(thiolan-3-yl)pyrimidin-4-amine (CID 63728069) is 6-chloro-N,2,5-trimethyl-N-(thiolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,2,5-trimethyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,2,5-trimethyl-N-(thiolan-3-yl)pyrimidin-4-amine is Cc1nc(Cl)c(C)c(N(C)C2CCSC2)n1.
What is the InChIKey of 6-chloro-N,2,5-trimethyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The InChIKey is PFVUCPXXVDJOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3S/c1-7-10(12)13-8(2)14-11(7)15(3)9-4-5-16-6-9/h9H,4-6H2,1-3H3.
What are the key properties of 6-chloro-N,2,5-trimethyl-N-(thiolan-3-yl)pyrimidin-4-amine?
6-chloro-N,2,5-trimethyl-N-(thiolan-3-yl)pyrimidin-4-amine has a molecular weight of 257.79 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,2,5-trimethyl-N-(thiolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 63728069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).