4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine

C11H19N5S — CID 114122138

IUPAC4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine
SMILESCCSC1CCCC1Nc1cc(N)nc(N)n1
InChIInChI=1S/C11H19N5S/c1-2-17-8-5-3-4-7(8)14-10-6-9(12)15-11(13)16-10/h6-8H,2-5H2,1H3,(H5,12,13,14,15,16)
InChIKeyJLAIYLORCONWRN-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.73
Rot. Bonds4

About 4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine

4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine (PubChem CID 114122138) has the molecular formula C11H19N5S and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine
PubChem CID114122138
Molecular FormulaC11H19N5S
Molecular Weight253.37 g/mol
Exact Mass253.14
IUPAC Name4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine
SMILESCCSC1CCCC1Nc1cc(N)nc(N)n1
InChIInChI=1S/C11H19N5S/c1-2-17-8-5-3-4-7(8)14-10-6-9(12)15-11(13)16-10/h6-8H,2-5H2,1H3,(H5,12,13,14,15,16)
InChIKeyJLAIYLORCONWRN-UHFFFAOYSA-N
XLogP1.73
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2-methoxycyclopentyl)pyrimidine-2,4,6-triamine
CID 80817558
2-N-ethyl-6-N-(2-ethylsulfanylcyclopentyl)pyridine-2,6-diamine
CID 114122162
4-N-(2-ethylsulfanylcyclopentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 103725102
1-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzene-1,4-diamine
CID 114121302
6-ethyl-N-(2-ethylsulfanylcyclopentyl)-2-pyridin-4-ylpyrimidin-4-amine
CID 133357230
5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxamide
CID 114122049
methyl 6-[(2-ethylsulfanylcyclopentyl)amino]-2-methoxypyridine-3-carboxylate
CID 133492487
N-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine
CID 103725083
3-N-(2-ethylsulfanylcyclopentyl)-2-methylbenzene-1,3-diamine
CID 114121308
6-ethoxy-N-(2-ethylsulfanylcyclopentyl)pyrazin-2-amine
CID 133378493
N-(2-ethylsulfanylcyclopentyl)-5-(trifluoromethyl)pyridin-2-amine
CID 103804882
6-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]pyridine-3-carbonitrile
CID 96525974

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine (CID 114122138) is 4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine is CCSC1CCCC1Nc1cc(N)nc(N)n1.
What is the InChIKey of 4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine?
The InChIKey is JLAIYLORCONWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5S/c1-2-17-8-5-3-4-7(8)14-10-6-9(12)15-11(13)16-10/h6-8H,2-5H2,1H3,(H5,12,13,14,15,16).
What are the key properties of 4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine?
4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine has a molecular weight of 253.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 114122138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).