3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,2-dimethylcyclopentan-1-amine

C13H21N3S — CID 64906756

IUPAC3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(Sc2nc(C)cc(C)n2)C1C
InChIInChI=1S/C13H21N3S/c1-8-7-9(2)16-13(15-8)17-12-6-5-11(14-4)10(12)3/h7,10-12,14H,5-6H2,1-4H3
InChIKeyLDDNHELXLQSLLE-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.57
Rot. Bonds3

About 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,2-dimethylcyclopentan-1-amine

3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,2-dimethylcyclopentan-1-amine (PubChem CID 64906756) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,2-dimethylcyclopentan-1-amine
PubChem CID64906756
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(Sc2nc(C)cc(C)n2)C1C
InChIInChI=1S/C13H21N3S/c1-8-7-9(2)16-13(15-8)17-12-6-5-11(14-4)10(12)3/h7,10-12,14H,5-6H2,1-4H3
InChIKeyLDDNHELXLQSLLE-UHFFFAOYSA-N
XLogP2.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-3-methylsulfanylcyclopentan-1-amine
CID 64906996
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 64632318
4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 62328980
(3R,4R)-4-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrolidin-3-ol
CID 126847733
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyloxan-4-amine
CID 64634495
4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfanylpyrimidine;hydrochloride
CID 71638426
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4,4-dimethylcyclohexan-1-amine
CID 64633897
6-methyl-2-(4-methylcyclohexyl)sulfanylpyrimidin-4-amine
CID 115331161
3-[2-methyl-3-(methylamino)cyclopentyl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 64906767
2-(4-amino-6-methylpyrimidin-2-yl)sulfanylcycloheptan-1-ol
CID 113288637
3-butylsulfanyl-N,2-dimethylcyclopentan-1-amine
CID 64905748
N-(3-ethyl-2-methylcyclopentyl)-4,6-dimethylpyrimidin-2-amine
CID 64915028

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,2-dimethylcyclopentan-1-amine?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,2-dimethylcyclopentan-1-amine (CID 64906756) is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,2-dimethylcyclopentan-1-amine is CNC1CCC(Sc2nc(C)cc(C)n2)C1C.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,2-dimethylcyclopentan-1-amine?
The InChIKey is LDDNHELXLQSLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-8-7-9(2)16-13(15-8)17-12-6-5-11(14-4)10(12)3/h7,10-12,14H,5-6H2,1-4H3.
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,2-dimethylcyclopentan-1-amine?
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,2-dimethylcyclopentan-1-amine has a molecular weight of 251.40 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64906756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).