N-(2-methylsulfanylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C14H21N3S — CID 113239948

IUPACN-(2-methylsulfanylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCSC1CCCCC1Nc1ncnc2c1CCC2
InChIInChI=1S/C14H21N3S/c1-18-13-8-3-2-6-12(13)17-14-10-5-4-7-11(10)15-9-16-14/h9,12-13H,2-8H2,1H3,(H,15,16,17)
InChIKeyNPBAONOCVPUZBW-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.05
Rot. Bonds3

About N-(2-methylsulfanylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-(2-methylsulfanylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 113239948) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-(2-methylsulfanylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID113239948
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-(2-methylsulfanylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCSC1CCCCC1Nc1ncnc2c1CCC2
InChIInChI=1S/C14H21N3S/c1-18-13-8-3-2-6-12(13)17-14-10-5-4-7-11(10)15-9-16-14/h9,12-13H,2-8H2,1H3,(H,15,16,17)
InChIKeyNPBAONOCVPUZBW-UHFFFAOYSA-N
XLogP3.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65029507
N-(2-methyloxolan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82727853
N-(2-methylpiperidin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 114695362
N-(2-methyloxolan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 82729364
4-N-(2-methylsulfanylcyclopentyl)-5-nitropyrimidine-4,6-diamine
CID 114122156
5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-methylpiperidin-2-one
CID 64669197
N-(3-chloro-2,2-dimethylcyclobutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 114632152
N-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 80714080
N-(2-methyloxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 103889241
5-amino-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730586
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-(hydroxymethyl)propane-1,3-diol
CID 114008881
4-methyl-2-N-(2-methylsulfanylcyclohexyl)pyridine-2,5-diamine
CID 114122386

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-(2-methylsulfanylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 113239948) is N-(2-methylsulfanylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methylsulfanylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methylsulfanylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CSC1CCCCC1Nc1ncnc2c1CCC2.
What is the InChIKey of N-(2-methylsulfanylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is NPBAONOCVPUZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-18-13-8-3-2-6-12(13)17-14-10-5-4-7-11(10)15-9-16-14/h9,12-13H,2-8H2,1H3,(H,15,16,17).
What are the key properties of N-(2-methylsulfanylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-(2-methylsulfanylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 263.41 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 113239948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).