5-chloro-N-methyl-N-(1-oxothian-4-yl)pyrimidin-2-amine

C10H14ClN3OS — CID 75379297

IUPAC5-chloro-N-methyl-N-(1-oxothian-4-yl)pyrimidin-2-amine
SMILESCN(c1ncc(Cl)cn1)C1CCS(=O)CC1
InChIInChI=1S/C10H14ClN3OS/c1-14(9-2-4-16(15)5-3-9)10-12-6-8(11)7-13-10/h6-7,9H,2-5H2,1H3
InChIKeyHVSFJTGKGWHSAV-UHFFFAOYSA-N
MW259.76 g/mol
LogP1.48
Rot. Bonds2

About 5-chloro-N-methyl-N-(1-oxothian-4-yl)pyrimidin-2-amine

5-chloro-N-methyl-N-(1-oxothian-4-yl)pyrimidin-2-amine (PubChem CID 75379297) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(1-oxothian-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(1-oxothian-4-yl)pyrimidin-2-amine
PubChem CID75379297
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name5-chloro-N-methyl-N-(1-oxothian-4-yl)pyrimidin-2-amine
SMILESCN(c1ncc(Cl)cn1)C1CCS(=O)CC1
InChIInChI=1S/C10H14ClN3OS/c1-14(9-2-4-16(15)5-3-9)10-12-6-8(11)7-13-10/h6-7,9H,2-5H2,1H3
InChIKeyHVSFJTGKGWHSAV-UHFFFAOYSA-N
XLogP1.48
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(1-oxothian-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-(1-oxothian-4-yl)pyrimidin-2-amine (CID 75379297) is 5-chloro-N-methyl-N-(1-oxothian-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-(1-oxothian-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-(1-oxothian-4-yl)pyrimidin-2-amine is CN(c1ncc(Cl)cn1)C1CCS(=O)CC1.
What is the InChIKey of 5-chloro-N-methyl-N-(1-oxothian-4-yl)pyrimidin-2-amine?
The InChIKey is HVSFJTGKGWHSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS/c1-14(9-2-4-16(15)5-3-9)10-12-6-8(11)7-13-10/h6-7,9H,2-5H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-(1-oxothian-4-yl)pyrimidin-2-amine?
5-chloro-N-methyl-N-(1-oxothian-4-yl)pyrimidin-2-amine has a molecular weight of 259.76 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(1-oxothian-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 75379297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).