2-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine

C9H12ClN3S — CID 62341679

IUPAC2-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
SMILESCN(c1ccnc(Cl)n1)C1CCSC1
InChIInChI=1S/C9H12ClN3S/c1-13(7-3-5-14-6-7)8-2-4-11-9(10)12-8/h2,4,7H,3,5-6H2,1H3
InChIKeyPNIGVDANDYMIGN-UHFFFAOYSA-N
MW229.74 g/mol
LogP2.07
Rot. Bonds2

About 2-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine

2-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine (PubChem CID 62341679) has the molecular formula C9H12ClN3S and a molecular weight of 229.74 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
PubChem CID62341679
Molecular FormulaC9H12ClN3S
Molecular Weight229.74 g/mol
Exact Mass229.04
IUPAC Name2-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
SMILESCN(c1ccnc(Cl)n1)C1CCSC1
InChIInChI=1S/C9H12ClN3S/c1-13(7-3-5-14-6-7)8-2-4-11-9(10)12-8/h2,4,7H,3,5-6H2,1H3
InChIKeyPNIGVDANDYMIGN-UHFFFAOYSA-N
XLogP2.07
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.74
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
CID 130598318
5-bromo-2-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 79076376
6-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 61277347
6-chloro-N,2-dimethyl-N-[(3S)-thiolan-3-yl]pyrimidin-4-amine
CID 129367917
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidin-4-amine
CID 62341880
[6-[methyl(thiolan-3-yl)amino]-2-pyridinyl]methanol
CID 62254275
4-(chloromethyl)-3-fluoro-N-methyl-N-(thiolan-3-yl)pyridin-2-amine
CID 105383478
2-[methyl(thiolan-3-yl)amino]quinoline-4-carbonitrile
CID 63885847
N-methyl-2-(methylaminomethyl)-N-(thiolan-3-yl)pyridin-4-amine
CID 62279218
tert-butyl (3R)-3-[(2-chloropyrimidin-4-yl)-methylamino]pyrrolidine-1-carboxylate
CID 71646667
6-chloro-4-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,5-diamine
CID 63021682
4-N-methyl-4-N-[(3R)-thiolan-3-yl]benzene-1,4-diamine
CID 93278897

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine (CID 62341679) is 2-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine is CN(c1ccnc(Cl)n1)C1CCSC1.
What is the InChIKey of 2-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine?
The InChIKey is PNIGVDANDYMIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3S/c1-13(7-3-5-14-6-7)8-2-4-11-9(10)12-8/h2,4,7H,3,5-6H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine?
2-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine has a molecular weight of 229.74 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 62341679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).