(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one

C9H15N5O3 — CID 135398654

💊View drug profile → sapropterin
IUPAC(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESC[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1
InChIKeyFNKQXYHWGSIFBK-RPDRRWSUSA-N
MW241.25 g/mol
LogP-1.70
Rot. Bonds2

About (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one

(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one (PubChem CID 135398654) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one.

Molecular Properties

Compound Name(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
PubChem CID135398654
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESC[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1
InChIKeyFNKQXYHWGSIFBK-RPDRRWSUSA-N
XLogP-1.70
TPSA136.29 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one with MolForge

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Related Compounds

Sapropterin Dihydrochloride
CID 135409471
7,8-Dihydro-L-biopterin
CID 135398687
Tetrahydrobiopterin
CID 135402045
(6R)-5,6,7,8-tetrahydrobiopterin
CID 135409384
6-Lactoyltetrahydropterin
CID 135398702
a 7,8-Dihydrobiopterin
CID 135402011
Tetrahydroneopterin
CID 135418307
7-(1,2-Dihydroxypropyl)-5,6,7,8-tetrahydrobiopterin
CID 135616732
(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride
CID 135796573
Tetrahydromonapterin
CID 135874854
6S-5,6,7,8-Tetrahydrobiopterin
CID 135509079
Sapropterin Dihydrochloride;Tetrahydrobiopterin Dihydrochloride, R-THBP Dihydrochloride
CID 135889530

Frequently Asked Questions

What is the IUPAC name of (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The IUPAC name of (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one (CID 135398654) is (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one.
What is the SMILES notation for (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The canonical SMILES for (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one is C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1.
What is the InChIKey of (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The InChIKey is FNKQXYHWGSIFBK-RPDRRWSUSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1.
What are the key properties of (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one?
(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one has a molecular weight of 241.25 g/mol, XLogP of -1.70, 2 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one is sourced from PubChem (CID 135398654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).