(2R)-2-[[(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)methylamino]methyl]pentane-1,3-diol

C12H20N6O2 — CID 142864837

IUPAC(2R)-2-[[(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)methylamino]methyl]pentane-1,3-diol
SMILESCCC(O)[C@@H](CO)CNCc1[nH]nc2c(N)ncnc12
InChIInChI=1S/C12H20N6O2/c1-2-9(20)7(5-19)3-14-4-8-10-11(18-17-8)12(13)16-6-15-10/h6-7,9,14,19-20H,2-5H2,1H3,(H,17,18)(H2,13,15,16)/t7-,9?/m1/s1
InChIKeyKNYCBMYVEOAZAS-YOXFSPIKSA-N
MW280.33 g/mol
LogP-0.60
Rot. Bonds7

About (2R)-2-[[(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)methylamino]methyl]pentane-1,3-diol

(2R)-2-[[(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)methylamino]methyl]pentane-1,3-diol (PubChem CID 142864837) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (2R)-2-[[(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)methylamino]methyl]pentane-1,3-diol.

Molecular Properties

Compound Name(2R)-2-[[(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)methylamino]methyl]pentane-1,3-diol
PubChem CID142864837
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name(2R)-2-[[(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)methylamino]methyl]pentane-1,3-diol
SMILESCCC(O)[C@@H](CO)CNCc1[nH]nc2c(N)ncnc12
InChIInChI=1S/C12H20N6O2/c1-2-9(20)7(5-19)3-14-4-8-10-11(18-17-8)12(13)16-6-15-10/h6-7,9,14,19-20H,2-5H2,1H3,(H,17,18)(H2,13,15,16)/t7-,9?/m1/s1
InChIKeyKNYCBMYVEOAZAS-YOXFSPIKSA-N
XLogP-0.60
TPSA132.97 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[[(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)methylamino]methyl]pentane-1,3-diol with MolForge

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Related Compounds

3-[[[(2S)-2,3-dihydroxypropyl]amino]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 135923858
(2R,3S)-3-[[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]methyl]-4-(2-hydroxyethylsulfanyl)butan-2-ol
CID 90059719
(3R,4S)-1-[2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-3-ol
CID 11990569
2-[[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]methyl]-3-methylsulfanylpropan-1-ol
CID 24899717
(2R,3S)-3-[[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]methyl]-4-pentylsulfanylbutan-2-ol
CID 90059755
(2R,3S,5R)-5-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 512707
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propane-1,2-diol
CID 80850758
7-chloro-3-ethyl-2H-pyrazolo[4,3-d]pyrimidine
CID 87498025
3-[[[4-amino-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methylamino]methyl]-4-methylsulfanylbutane-1,2-diol
CID 71267645
(2S,3R)-2-aminopentane-1,3-diol
CID 44561573
3-[[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl-methylamino]methyl]-4-methylsulfanylbutane-1,2-diol
CID 74349226
(2R,3S)-3-[[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-methylamino]methyl]-4-methylsulfanylbutane-1,2-diol
CID 24899966

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)methylamino]methyl]pentane-1,3-diol?
The IUPAC name of (2R)-2-[[(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)methylamino]methyl]pentane-1,3-diol (CID 142864837) is (2R)-2-[[(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)methylamino]methyl]pentane-1,3-diol.
What is the SMILES notation for (2R)-2-[[(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)methylamino]methyl]pentane-1,3-diol?
The canonical SMILES for (2R)-2-[[(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)methylamino]methyl]pentane-1,3-diol is CCC(O)[C@@H](CO)CNCc1[nH]nc2c(N)ncnc12.
What is the InChIKey of (2R)-2-[[(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)methylamino]methyl]pentane-1,3-diol?
The InChIKey is KNYCBMYVEOAZAS-YOXFSPIKSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-2-9(20)7(5-19)3-14-4-8-10-11(18-17-8)12(13)16-6-15-10/h6-7,9,14,19-20H,2-5H2,1H3,(H,17,18)(H2,13,15,16)/t7-,9?/m1/s1.
What are the key properties of (2R)-2-[[(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)methylamino]methyl]pentane-1,3-diol?
(2R)-2-[[(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)methylamino]methyl]pentane-1,3-diol has a molecular weight of 280.33 g/mol, XLogP of -0.60, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)methylamino]methyl]pentane-1,3-diol is sourced from PubChem (CID 142864837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).