[(1R,2R,3S,4R)-4-[(6-amino-2-methylpyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl]methyl sulfamate

C11H19N5O5S — CID 59671245

IUPAC[(1R,2R,3S,4R)-4-[(6-amino-2-methylpyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl]methyl sulfamate
SMILESCc1nc(N)cc(N[C@@H]2C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C11H19N5O5S/c1-5-14-8(12)3-9(15-5)16-7-2-6(10(17)11(7)18)4-21-22(13,19)20/h3,6-7,10-11,17-18H,2,4H2,1H3,(H2,13,19,20)(H3,12,14,15,16)/t6-,7-,10-,11+/m1/s1
InChIKeyXZXIENFQFIXAOU-CCXSFMJYSA-N
MW333.37 g/mol
LogP-1.89
Rot. Bonds5

About [(1R,2R,3S,4R)-4-[(6-amino-2-methylpyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl]methyl sulfamate

[(1R,2R,3S,4R)-4-[(6-amino-2-methylpyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl]methyl sulfamate (PubChem CID 59671245) has the molecular formula C11H19N5O5S and a molecular weight of 333.37 g/mol. Its IUPAC name is [(1R,2R,3S,4R)-4-[(6-amino-2-methylpyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl]methyl sulfamate.

Molecular Properties

Compound Name[(1R,2R,3S,4R)-4-[(6-amino-2-methylpyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl]methyl sulfamate
PubChem CID59671245
Molecular FormulaC11H19N5O5S
Molecular Weight333.37 g/mol
Exact Mass333.11
IUPAC Name[(1R,2R,3S,4R)-4-[(6-amino-2-methylpyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl]methyl sulfamate
SMILESCc1nc(N)cc(N[C@@H]2C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C11H19N5O5S/c1-5-14-8(12)3-9(15-5)16-7-2-6(10(17)11(7)18)4-21-22(13,19)20/h3,6-7,10-11,17-18H,2,4H2,1H3,(H2,13,19,20)(H3,12,14,15,16)/t6-,7-,10-,11+/m1/s1
InChIKeyXZXIENFQFIXAOU-CCXSFMJYSA-N
XLogP-1.89
TPSA173.68 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 5-1.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze [(1R,2R,3S,4R)-4-[(6-amino-2-methylpyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl]methyl sulfamate with MolForge

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Related Compounds

[(1R,2R,3S,4R)-4-[[2-(cyclohexylmethylamino)pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl sulfamate
CID 24829868
[(1R,2R,3S,4R)-4-[[6-(cyclohexylmethylamino)pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl sulfamate
CID 59671207
(1R,2S,3R,5R)-3-[[6-chloro-5-iodo-2-(methylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 58571105
(1R,2S,3R,5R)-3-[(6-chloropyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 59671293
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[(6-iodopyrimidin-4-yl)amino]cyclopentane-1,2-diol
CID 86663353
[(1S,2R,3S,4R)-2,3-dihydroxy-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentyl]methyl sulfamate
CID 87159806
(1R,2S,3R,5R)-3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 87159809
[(1R,2R,3S,4R)-2,3-dihydroxy-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentyl]methyl sulfamate
CID 87159844
(1R,2S,3R)-3-[(6-chloropyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 87450338
(1R,2R,3R,5R)-3-[(6-chloropyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 87450339
3-[(2-Amino-6-chloro-5-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 91318672
3-[[6-Chloro-5-methyl-2-(methylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 91543487

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3S,4R)-4-[(6-amino-2-methylpyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl]methyl sulfamate?
The IUPAC name of [(1R,2R,3S,4R)-4-[(6-amino-2-methylpyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl]methyl sulfamate (CID 59671245) is [(1R,2R,3S,4R)-4-[(6-amino-2-methylpyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl]methyl sulfamate.
What is the SMILES notation for [(1R,2R,3S,4R)-4-[(6-amino-2-methylpyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl]methyl sulfamate?
The canonical SMILES for [(1R,2R,3S,4R)-4-[(6-amino-2-methylpyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl]methyl sulfamate is Cc1nc(N)cc(N[C@@H]2C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)n1.
What is the InChIKey of [(1R,2R,3S,4R)-4-[(6-amino-2-methylpyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl]methyl sulfamate?
The InChIKey is XZXIENFQFIXAOU-CCXSFMJYSA-N. The full InChI is InChI=1S/C11H19N5O5S/c1-5-14-8(12)3-9(15-5)16-7-2-6(10(17)11(7)18)4-21-22(13,19)20/h3,6-7,10-11,17-18H,2,4H2,1H3,(H2,13,19,20)(H3,12,14,15,16)/t6-,7-,10-,11+/m1/s1.
What are the key properties of [(1R,2R,3S,4R)-4-[(6-amino-2-methylpyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl]methyl sulfamate?
[(1R,2R,3S,4R)-4-[(6-amino-2-methylpyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl]methyl sulfamate has a molecular weight of 333.37 g/mol, XLogP of -1.89, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3S,4R)-4-[(6-amino-2-methylpyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl]methyl sulfamate is sourced from PubChem (CID 59671245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).