N-[[[(2R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]methyl]formamide

C14H21N7O4 — CID 87180592

IUPACN-[[[(2R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]methyl]formamide
SMILESCc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CNC=O)C(O)C1O
InChIInChI=1S/C14H21N7O4/c1-7-19-9-12(15)17-4-18-13(9)21(7)14-11(24)10(23)8(25-14)3-20(2)5-16-6-22/h4,6,8,10-11,14,23-24H,3,5H2,1-2H3,(H,16,22)(H2,15,17,18)/t8-,10?,11?,14-/m1/s1
InChIKeyQZXQSBQKFQQBJI-BUTJNPDOSA-N
MW351.37 g/mol
LogP-2.03
Rot. Bonds6

About N-[[[(2R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]methyl]formamide

N-[[[(2R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]methyl]formamide (PubChem CID 87180592) has the molecular formula C14H21N7O4 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[[[(2R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]methyl]formamide.

Molecular Properties

Compound NameN-[[[(2R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]methyl]formamide
PubChem CID87180592
Molecular FormulaC14H21N7O4
Molecular Weight351.37 g/mol
Exact Mass351.17
IUPAC NameN-[[[(2R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]methyl]formamide
SMILESCc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CNC=O)C(O)C1O
InChIInChI=1S/C14H21N7O4/c1-7-19-9-12(15)17-4-18-13(9)21(7)14-11(24)10(23)8(25-14)3-20(2)5-16-6-22/h4,6,8,10-11,14,23-24H,3,5H2,1-2H3,(H,16,22)(H2,15,17,18)/t8-,10?,11?,14-/m1/s1
InChIKeyQZXQSBQKFQQBJI-BUTJNPDOSA-N
XLogP-2.03
TPSA151.65 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 5-2.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[(2R,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]acetohydrazide
CID 25183746
(2R,3R,4S,5R)-2-(6-amino-8-methylpurin-9-yl)-5-[[2-(methylamino)ethylamino]methyl]oxolane-3,4-diol
CID 25233766
[(2S,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-dimethylsulfanium chloride
CID 25231313
(2R,3R,4S,5R)-2-(6-amino-8-methylpurin-9-yl)-5-[2-hydroxy-2-[2-(methylamino)ethylamino]ethyl]oxolane-3,4-diol
CID 25181594
(2R,3R,4S,5R)-2-(6-amino-8-ethylpurin-9-yl)-5-[[3-aminopropyl(methyl)amino]methyl]oxolane-3,4-diol
CID 25233956
[(2R,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 50916646
(2R,3S,4R,5R)-2-[[4-aminooxybutyl(methyl)amino]methyl]-5-(6-amino-8-phenylpurin-9-yl)oxolane-3,4-diol;sulfuric acid
CID 44564195
(2R,5R)-2-[6-amino-8-(methylamino)purin-9-yl]-5-[[4-(1-ethoxyethenylamino)oxybutyl-methylamino]methyl]oxolane-3,4-diol
CID 91077716
1-[(4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]propan-2-yloxy-(2-hydroxypropan-2-yl)phosphinic acid
CID 163850095
methyl 6-amino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-8-carboxylate
CID 70580539
(2R,3S,4R)-2-[[3-aminopropyl(methyl)amino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
CID 46874021
(2S,3S,4R,5S)-2-(6-amino-8-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 43811134

Frequently Asked Questions

What is the IUPAC name of N-[[[(2R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]methyl]formamide?
The IUPAC name of N-[[[(2R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]methyl]formamide (CID 87180592) is N-[[[(2R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]methyl]formamide.
What is the SMILES notation for N-[[[(2R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]methyl]formamide?
The canonical SMILES for N-[[[(2R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]methyl]formamide is Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CNC=O)C(O)C1O.
What is the InChIKey of N-[[[(2R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]methyl]formamide?
The InChIKey is QZXQSBQKFQQBJI-BUTJNPDOSA-N. The full InChI is InChI=1S/C14H21N7O4/c1-7-19-9-12(15)17-4-18-13(9)21(7)14-11(24)10(23)8(25-14)3-20(2)5-16-6-22/h4,6,8,10-11,14,23-24H,3,5H2,1-2H3,(H,16,22)(H2,15,17,18)/t8-,10?,11?,14-/m1/s1.
What are the key properties of N-[[[(2R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]methyl]formamide?
N-[[[(2R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]methyl]formamide has a molecular weight of 351.37 g/mol, XLogP of -2.03, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[(2R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]methyl]formamide is sourced from PubChem (CID 87180592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).