2-amino-8-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpteridine-4,7-dione

C12H15N5O5 — CID 163199580

IUPAC2-amino-8-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpteridine-4,7-dione
SMILESCn1c(N)nc2c(ncc(=O)n2C2C[C@@H](O)[C@@H](CO)O2)c1=O
InChIInChI=1S/C12H15N5O5/c1-16-11(21)9-10(15-12(16)13)17(7(20)3-14-9)8-2-5(19)6(4-18)22-8/h3,5-6,8,18-19H,2,4H2,1H3,(H2,13,15)/t5-,6-,8?/m1/s1
InChIKeyRJCSBEHKYSZPAX-LPBDRPKESA-N
MW309.28 g/mol
LogP-2.29
Rot. Bonds2

About 2-amino-8-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpteridine-4,7-dione

2-amino-8-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpteridine-4,7-dione (PubChem CID 163199580) has the molecular formula C12H15N5O5 and a molecular weight of 309.28 g/mol. Its IUPAC name is 2-amino-8-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpteridine-4,7-dione.

Molecular Properties

Compound Name2-amino-8-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpteridine-4,7-dione
PubChem CID163199580
Molecular FormulaC12H15N5O5
Molecular Weight309.28 g/mol
Exact Mass309.11
IUPAC Name2-amino-8-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpteridine-4,7-dione
SMILESCn1c(N)nc2c(ncc(=O)n2C2C[C@@H](O)[C@@H](CO)O2)c1=O
InChIInChI=1S/C12H15N5O5/c1-16-11(21)9-10(15-12(16)13)17(7(20)3-14-9)8-2-5(19)6(4-18)22-8/h3,5-6,8,18-19H,2,4H2,1H3,(H2,13,15)/t5-,6-,8?/m1/s1
InChIKeyRJCSBEHKYSZPAX-LPBDRPKESA-N
XLogP-2.29
TPSA145.49 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 5-2.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

2-amino-9-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-6-one
CID 118885108
2-amino-8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpteridine-4,7-dione
CID 102404057
3-amino-4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazin-5-one
CID 10922258
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-propan-2-ylpurin-6-one
CID 68772844
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-6-one
CID 158990241
2,8-diamino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 161116161
2-[2-amino-8-bromo-9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxopurin-1-yl]acetic acid
CID 91577711
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylpyrimidin-2-one
CID 15788248
(2S,3R,5S)-5-(8-amino-6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 87921648
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-6-one;9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-6-one
CID 146349673
2-(15N)azanyl-8-bromo-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135545390
2-amino-8-bromo-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135441479

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpteridine-4,7-dione?
The IUPAC name of 2-amino-8-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpteridine-4,7-dione (CID 163199580) is 2-amino-8-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpteridine-4,7-dione.
What is the SMILES notation for 2-amino-8-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpteridine-4,7-dione?
The canonical SMILES for 2-amino-8-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpteridine-4,7-dione is Cn1c(N)nc2c(ncc(=O)n2C2C[C@@H](O)[C@@H](CO)O2)c1=O.
What is the InChIKey of 2-amino-8-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpteridine-4,7-dione?
The InChIKey is RJCSBEHKYSZPAX-LPBDRPKESA-N. The full InChI is InChI=1S/C12H15N5O5/c1-16-11(21)9-10(15-12(16)13)17(7(20)3-14-9)8-2-5(19)6(4-18)22-8/h3,5-6,8,18-19H,2,4H2,1H3,(H2,13,15)/t5-,6-,8?/m1/s1.
What are the key properties of 2-amino-8-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpteridine-4,7-dione?
2-amino-8-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpteridine-4,7-dione has a molecular weight of 309.28 g/mol, XLogP of -2.29, 2 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-[(4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpteridine-4,7-dione is sourced from PubChem (CID 163199580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).