2-[(1R,3S)-3-[amino-[5-amino-6-(methylamino)-2-propylsulfanylpyrimidin-4-yl]amino]cyclopentyl]oxyethanol

C15H28N6O2S — CID 126627085

IUPAC2-[(1R,3S)-3-[amino-[5-amino-6-(methylamino)-2-propylsulfanylpyrimidin-4-yl]amino]cyclopentyl]oxyethanol
SMILESCCCSc1nc(NC)c(N)c(N(N)[C@H]2CC[C@@H](OCCO)C2)n1
InChIInChI=1S/C15H28N6O2S/c1-3-8-24-15-19-13(18-2)12(16)14(20-15)21(17)10-4-5-11(9-10)23-7-6-22/h10-11,22H,3-9,16-17H2,1-2H3,(H,18,19,20)/t10-,11+/m0/s1
InChIKeyZRMURVPCOUZUJN-WDEREUQCSA-N
MW356.50 g/mol
LogP1.21
Rot. Bonds9

About 2-[(1R,3S)-3-[amino-[5-amino-6-(methylamino)-2-propylsulfanylpyrimidin-4-yl]amino]cyclopentyl]oxyethanol

2-[(1R,3S)-3-[amino-[5-amino-6-(methylamino)-2-propylsulfanylpyrimidin-4-yl]amino]cyclopentyl]oxyethanol (PubChem CID 126627085) has the molecular formula C15H28N6O2S and a molecular weight of 356.50 g/mol. Its IUPAC name is 2-[(1R,3S)-3-[amino-[5-amino-6-(methylamino)-2-propylsulfanylpyrimidin-4-yl]amino]cyclopentyl]oxyethanol.

Molecular Properties

Compound Name2-[(1R,3S)-3-[amino-[5-amino-6-(methylamino)-2-propylsulfanylpyrimidin-4-yl]amino]cyclopentyl]oxyethanol
PubChem CID126627085
Molecular FormulaC15H28N6O2S
Molecular Weight356.50 g/mol
Exact Mass356.20
IUPAC Name2-[(1R,3S)-3-[amino-[5-amino-6-(methylamino)-2-propylsulfanylpyrimidin-4-yl]amino]cyclopentyl]oxyethanol
SMILESCCCSc1nc(NC)c(N)c(N(N)[C@H]2CC[C@@H](OCCO)C2)n1
InChIInChI=1S/C15H28N6O2S/c1-3-8-24-15-19-13(18-2)12(16)14(20-15)21(17)10-4-5-11(9-10)23-7-6-22/h10-11,22H,3-9,16-17H2,1-2H3,(H,18,19,20)/t10-,11+/m0/s1
InChIKeyZRMURVPCOUZUJN-WDEREUQCSA-N
XLogP1.21
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(1R,3S)-3-[amino-[5-amino-6-(methylamino)-2-propylsulfanylpyrimidin-4-yl]amino]cyclopentyl]oxyethanol with MolForge

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Related Compounds

2-[3-[amino-(5,6-diamino-2-propylsulfanylpyrimidin-4-yl)amino]cyclopentyl]oxyethanol;4-cyclopropyl-1,2-difluorobenzene;methanol
CID 144552802
6-[amino-[3-[2-(cyclopropylmethoxy)ethoxy]cyclopentyl]amino]-2-propylsulfanylpyrimidine-4,5-diamine
CID 145150293
2-[(1R,3S)-3-[7-(methylamino)-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]cyclopentyl]oxyethanol
CID 134335687
2-[[(3aR,4S,6R,6aS)-6-[[6-[[(3aR,4S,6R,6aS)-4-(2-hydroxyethoxy)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]amino]-5-amino-2-propylsulfanylpyrimidin-4-yl]amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
CID 146014516
cis-(3R,5S)-3-[(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)amino]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
CID 90269338
(1R,2R,3S,5R)-3-[(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)amino]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
CID 90258403
tert-butyl N-cyclopropyl-N-[6-[[3-(2-hydroxyethoxy)cyclopentyl]amino]-5-nitro-2-propylsulfanylpyrimidin-4-yl]carbamate;1,2-difluorobenzene
CID 144552810
2-[3-[7-(2,3-dihydro-1H-inden-2-ylamino)-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]cyclopentyl]oxyethanol
CID 123332573
2-[(1R,2S,3S)-3-[(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)amino]-2-fluorocyclopentyl]oxyethanol;ethane;propane-2,2-diol
CID 144529089
2-[[(3aR,4S,6R,6aS)-6-[(5-amino-6-bromo-2-propylsulfanylpyrimidin-4-yl)amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
CID 90466255
ethyl 2-[4-[amino-(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl]oxyacetate
CID 123502476
2-[4-(dimethylamino)cyclohexyl]oxyethanol
CID 66563849

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S)-3-[amino-[5-amino-6-(methylamino)-2-propylsulfanylpyrimidin-4-yl]amino]cyclopentyl]oxyethanol?
The IUPAC name of 2-[(1R,3S)-3-[amino-[5-amino-6-(methylamino)-2-propylsulfanylpyrimidin-4-yl]amino]cyclopentyl]oxyethanol (CID 126627085) is 2-[(1R,3S)-3-[amino-[5-amino-6-(methylamino)-2-propylsulfanylpyrimidin-4-yl]amino]cyclopentyl]oxyethanol.
What is the SMILES notation for 2-[(1R,3S)-3-[amino-[5-amino-6-(methylamino)-2-propylsulfanylpyrimidin-4-yl]amino]cyclopentyl]oxyethanol?
The canonical SMILES for 2-[(1R,3S)-3-[amino-[5-amino-6-(methylamino)-2-propylsulfanylpyrimidin-4-yl]amino]cyclopentyl]oxyethanol is CCCSc1nc(NC)c(N)c(N(N)[C@H]2CC[C@@H](OCCO)C2)n1.
What is the InChIKey of 2-[(1R,3S)-3-[amino-[5-amino-6-(methylamino)-2-propylsulfanylpyrimidin-4-yl]amino]cyclopentyl]oxyethanol?
The InChIKey is ZRMURVPCOUZUJN-WDEREUQCSA-N. The full InChI is InChI=1S/C15H28N6O2S/c1-3-8-24-15-19-13(18-2)12(16)14(20-15)21(17)10-4-5-11(9-10)23-7-6-22/h10-11,22H,3-9,16-17H2,1-2H3,(H,18,19,20)/t10-,11+/m0/s1.
What are the key properties of 2-[(1R,3S)-3-[amino-[5-amino-6-(methylamino)-2-propylsulfanylpyrimidin-4-yl]amino]cyclopentyl]oxyethanol?
2-[(1R,3S)-3-[amino-[5-amino-6-(methylamino)-2-propylsulfanylpyrimidin-4-yl]amino]cyclopentyl]oxyethanol has a molecular weight of 356.50 g/mol, XLogP of 1.21, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3S)-3-[amino-[5-amino-6-(methylamino)-2-propylsulfanylpyrimidin-4-yl]amino]cyclopentyl]oxyethanol is sourced from PubChem (CID 126627085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).