2-amino-7-[(2R)-2-hydroxycyclobutyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one

C10H12N4O2 — CID 135475516

IUPAC2-amino-7-[(2R)-2-hydroxycyclobutyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2c(ccn2C2CC[C@H]2O)c(=O)[nH]1
InChIInChI=1S/C10H12N4O2/c11-10-12-8-5(9(16)13-10)3-4-14(8)6-1-2-7(6)15/h3-4,6-7,15H,1-2H2,(H3,11,12,13,16)/t6?,7-/m1/s1
InChIKeyWXRCKUPGJPSMPP-COBSHVIPSA-N
MW220.23 g/mol
LogP0.00
Rot. Bonds1

About 2-amino-7-[(2R)-2-hydroxycyclobutyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one

2-amino-7-[(2R)-2-hydroxycyclobutyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135475516) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-amino-7-[(2R)-2-hydroxycyclobutyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-[(2R)-2-hydroxycyclobutyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135475516
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-amino-7-[(2R)-2-hydroxycyclobutyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2c(ccn2C2CC[C@H]2O)c(=O)[nH]1
InChIInChI=1S/C10H12N4O2/c11-10-12-8-5(9(16)13-10)3-4-14(8)6-1-2-7(6)15/h3-4,6-7,15H,1-2H2,(H3,11,12,13,16)/t6?,7-/m1/s1
InChIKeyWXRCKUPGJPSMPP-COBSHVIPSA-N
XLogP0.00
TPSA96.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-7-[(2R)-2-hydroxycyclobutyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

2-amino-7-[(2S,3R,4R,5S)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135546398
2-amino-7-[(2S,3S,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135506530
2-amino-7-[(2R,3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 144683644
2-amino-7-[(2R,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 144683681
2-amino-7-methanidyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;yttrium
CID 58122992
2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane
CID 142932958
2-amino-9-[(1R,2R)-2-hydroxycycloheptyl]-1H-purin-6-one
CID 135439454
2-amino-7-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;[(2R,3R,5R)-5-(2-amino-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]peroxy-(hydroxymethyl)phosphinous acid
CID 160743699
[[(2R,3S)-4-(2-amino-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-[(methyldisulfanyl)methoxy]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 146704572
3-amino-1-[(1S,2R)-2-hydroxycyclobutyl]pyridin-2-one
CID 146572606
1-[(4R,5R)-5-(2-amino-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]propan-2-yloxy-(3-hydroxypentan-3-yl)phosphinic acid
CID 137196695
2-amino-7-[(2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;[(2R,4R,5R)-5-(2-amino-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]peroxy-(hydroxymethyl)phosphinous acid
CID 160852216

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(2R)-2-hydroxycyclobutyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-[(2R)-2-hydroxycyclobutyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 135475516) is 2-amino-7-[(2R)-2-hydroxycyclobutyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-[(2R)-2-hydroxycyclobutyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-[(2R)-2-hydroxycyclobutyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one is Nc1nc2c(ccn2C2CC[C@H]2O)c(=O)[nH]1.
What is the InChIKey of 2-amino-7-[(2R)-2-hydroxycyclobutyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is WXRCKUPGJPSMPP-COBSHVIPSA-N. The full InChI is InChI=1S/C10H12N4O2/c11-10-12-8-5(9(16)13-10)3-4-14(8)6-1-2-7(6)15/h3-4,6-7,15H,1-2H2,(H3,11,12,13,16)/t6?,7-/m1/s1.
What are the key properties of 2-amino-7-[(2R)-2-hydroxycyclobutyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
2-amino-7-[(2R)-2-hydroxycyclobutyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 220.23 g/mol, XLogP of 0.00, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[(2R)-2-hydroxycyclobutyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135475516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).