2-amino-9-[(2R,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione

C18H29N5O3 — CID 170680177

IUPAC2-amino-9-[(2R,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione
SMILESCC(C)(C)C[C@H]1O[C@@H](n2c(=O)[nH]c3c(=O)[nH]c(N)nc32)CC1C(C)(C)C
InChIInChI=1S/C18H29N5O3/c1-17(2,3)8-10-9(18(4,5)6)7-11(26-10)23-13-12(20-16(23)25)14(24)22-15(19)21-13/h9-11H,7-8H2,1-6H3,(H,20,25)(H3,19,21,22,24)/t9?,10-,11-/m1/s1
InChIKeyCCNULVPUKDGUSI-FHZGLPGMSA-N
MW363.46 g/mol
LogP2.38
Rot. Bonds2

About 2-amino-9-[(2R,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione

2-amino-9-[(2R,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione (PubChem CID 170680177) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-amino-9-[(2R,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione.

Molecular Properties

Compound Name2-amino-9-[(2R,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione
PubChem CID170680177
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name2-amino-9-[(2R,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione
SMILESCC(C)(C)C[C@H]1O[C@@H](n2c(=O)[nH]c3c(=O)[nH]c(N)nc32)CC1C(C)(C)C
InChIInChI=1S/C18H29N5O3/c1-17(2,3)8-10-9(18(4,5)6)7-11(26-10)23-13-12(20-16(23)25)14(24)22-15(19)21-13/h9-11H,7-8H2,1-6H3,(H,20,25)(H3,19,21,22,24)/t9?,10-,11-/m1/s1
InChIKeyCCNULVPUKDGUSI-FHZGLPGMSA-N
XLogP2.38
TPSA118.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(2R,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione?
The IUPAC name of 2-amino-9-[(2R,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione (CID 170680177) is 2-amino-9-[(2R,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione.
What is the SMILES notation for 2-amino-9-[(2R,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione?
The canonical SMILES for 2-amino-9-[(2R,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione is CC(C)(C)C[C@H]1O[C@@H](n2c(=O)[nH]c3c(=O)[nH]c(N)nc32)CC1C(C)(C)C.
What is the InChIKey of 2-amino-9-[(2R,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione?
The InChIKey is CCNULVPUKDGUSI-FHZGLPGMSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-17(2,3)8-10-9(18(4,5)6)7-11(26-10)23-13-12(20-16(23)25)14(24)22-15(19)21-13/h9-11H,7-8H2,1-6H3,(H,20,25)(H3,19,21,22,24)/t9?,10-,11-/m1/s1.
What are the key properties of 2-amino-9-[(2R,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione?
2-amino-9-[(2R,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione has a molecular weight of 363.46 g/mol, XLogP of 2.38, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[(2R,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione is sourced from PubChem (CID 170680177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).