5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine

C13H22N4S — CID 67568333

IUPAC5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine
SMILESCCSc1nc(N)c(CC2CCCCC2)c(N)n1
InChIInChI=1S/C13H22N4S/c1-2-18-13-16-11(14)10(12(15)17-13)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H4,14,15,16,17)
InChIKeyVEIRWRKXSIYBAS-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.88
Rot. Bonds4

About 5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine

5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine (PubChem CID 67568333) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine
PubChem CID67568333
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine
SMILESCCSc1nc(N)c(CC2CCCCC2)c(N)n1
InChIInChI=1S/C13H22N4S/c1-2-18-13-16-11(14)10(12(15)17-13)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H4,14,15,16,17)
InChIKeyVEIRWRKXSIYBAS-UHFFFAOYSA-N
XLogP2.88
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-3-ylmethanol;5-bromo-7-ethyl-2-ethylsulfanyl-8-fluoropyrido[4,3-d]pyrimidin-4-amine;difluoromethane
CID 169255693
5-(cyclopentylmethyl)-4-propyl-1,2-oxazol-3-amine
CID 79412982
(6S)-2-ethylsulfanyl-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 7338372
ethylcyclopentane;methanamine
CID 142068671
5-(cyclohexylmethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66200058
5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-amine
CID 114458859
5-(cycloheptylmethyl)-1H-pyrazol-3-amine
CID 114458019
2-(cyclopentylmethyl)pyrimidin-4-amine
CID 70097820
4-chloro-6-(cyclohexylmethyl)-1,3,5-triazin-2-amine
CID 83240446
4-(cyclohexylmethyl)-1-methylpyrrol-2-amine
CID 90288974
[6-(cyclohexylmethyl)-2-methylpyrimidin-4-yl]methanamine
CID 121206759
4-(cycloheptylmethyl)pyridin-2-amine
CID 82923791

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine (CID 67568333) is 5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine is CCSc1nc(N)c(CC2CCCCC2)c(N)n1.
What is the InChIKey of 5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine?
The InChIKey is VEIRWRKXSIYBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-2-18-13-16-11(14)10(12(15)17-13)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H4,14,15,16,17).
What are the key properties of 5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine?
5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine has a molecular weight of 266.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 67568333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).