N-ethyl-2,2-dimethyl-5-pyrimidin-4-ylsulfanylcyclopentan-1-amine

C13H21N3S — CID 79862977

IUPACN-ethyl-2,2-dimethyl-5-pyrimidin-4-ylsulfanylcyclopentan-1-amine
SMILESCCNC1C(Sc2ccncn2)CCC1(C)C
InChIInChI=1S/C13H21N3S/c1-4-15-12-10(5-7-13(12,2)3)17-11-6-8-14-9-16-11/h6,8-10,12,15H,4-5,7H2,1-3H3
InChIKeyHTRHJWZBEAHUGB-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.74
Rot. Bonds4

About N-ethyl-2,2-dimethyl-5-pyrimidin-4-ylsulfanylcyclopentan-1-amine

N-ethyl-2,2-dimethyl-5-pyrimidin-4-ylsulfanylcyclopentan-1-amine (PubChem CID 79862977) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-5-pyrimidin-4-ylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-5-pyrimidin-4-ylsulfanylcyclopentan-1-amine
PubChem CID79862977
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-ethyl-2,2-dimethyl-5-pyrimidin-4-ylsulfanylcyclopentan-1-amine
SMILESCCNC1C(Sc2ccncn2)CCC1(C)C
InChIInChI=1S/C13H21N3S/c1-4-15-12-10(5-7-13(12,2)3)17-11-6-8-14-9-16-11/h6,8-10,12,15H,4-5,7H2,1-3H3
InChIKeyHTRHJWZBEAHUGB-UHFFFAOYSA-N
XLogP2.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-(1H-imidazol-2-ylsulfanyl)-2,2-dimethylcyclopentan-1-amine
CID 107784030
N-ethyl-2,2-dimethyl-5-quinazolin-4-ylsulfanylcyclopentan-1-amine
CID 79866369
2,2-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclopentan-1-amine
CID 79862776
N-ethyl-4-(2-methylbutan-2-yl)-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
CID 64627642
N-ethyl-4-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420563
N-propyl-2-pyrimidin-4-ylsulfanylcycloheptan-1-amine
CID 64628658
4-ethyl-N-propyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
CID 64627044
N-ethyl-3,5-dimethyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
CID 64737359
N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-amine
CID 79863622
5-butan-2-ylsulfanyl-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79863499
2-pyrimidin-4-ylsulfanylcycloheptan-1-amine
CID 64626439
2,2-dimethyl-5-(4-nitrophenyl)sulfanyl-N-propylcyclopentan-1-amine
CID 79866350

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-5-pyrimidin-4-ylsulfanylcyclopentan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-5-pyrimidin-4-ylsulfanylcyclopentan-1-amine (CID 79862977) is N-ethyl-2,2-dimethyl-5-pyrimidin-4-ylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-5-pyrimidin-4-ylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-5-pyrimidin-4-ylsulfanylcyclopentan-1-amine is CCNC1C(Sc2ccncn2)CCC1(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-5-pyrimidin-4-ylsulfanylcyclopentan-1-amine?
The InChIKey is HTRHJWZBEAHUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-4-15-12-10(5-7-13(12,2)3)17-11-6-8-14-9-16-11/h6,8-10,12,15H,4-5,7H2,1-3H3.
What are the key properties of N-ethyl-2,2-dimethyl-5-pyrimidin-4-ylsulfanylcyclopentan-1-amine?
N-ethyl-2,2-dimethyl-5-pyrimidin-4-ylsulfanylcyclopentan-1-amine has a molecular weight of 251.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-5-pyrimidin-4-ylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 79862977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).