5-chloro-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine

C9H13ClN4S — CID 80836482

IUPAC5-chloro-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine
SMILESCC1CSCCN1c1nc(N)ncc1Cl
InChIInChI=1S/C9H13ClN4S/c1-6-5-15-3-2-14(6)8-7(10)4-12-9(11)13-8/h4,6H,2-3,5H2,1H3,(H2,11,12,13)
InChIKeyIVAKHJMKFJYFFP-UHFFFAOYSA-N
MW244.75 g/mol
LogP1.65
Rot. Bonds1

About 5-chloro-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine

5-chloro-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine (PubChem CID 80836482) has the molecular formula C9H13ClN4S and a molecular weight of 244.75 g/mol. Its IUPAC name is 5-chloro-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine
PubChem CID80836482
Molecular FormulaC9H13ClN4S
Molecular Weight244.75 g/mol
Exact Mass244.05
IUPAC Name5-chloro-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine
SMILESCC1CSCCN1c1nc(N)ncc1Cl
InChIInChI=1S/C9H13ClN4S/c1-6-5-15-3-2-14(6)8-7(10)4-12-9(11)13-8/h4,6H,2-3,5H2,1H3,(H2,11,12,13)
InChIKeyIVAKHJMKFJYFFP-UHFFFAOYSA-N
XLogP1.65
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine (CID 80836482) is 5-chloro-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine is CC1CSCCN1c1nc(N)ncc1Cl.
What is the InChIKey of 5-chloro-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine?
The InChIKey is IVAKHJMKFJYFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4S/c1-6-5-15-3-2-14(6)8-7(10)4-12-9(11)13-8/h4,6H,2-3,5H2,1H3,(H2,11,12,13).
What are the key properties of 5-chloro-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine?
5-chloro-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine has a molecular weight of 244.75 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 80836482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).