2-amino-6-(hydroxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one

C9H15N5O2 — CID 135626459

IUPAC2-amino-6-(hydroxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one
SMILESCC1(C)Nc2nc(N)[nH]c(=O)c2NC1CO
InChIInChI=1S/C9H15N5O2/c1-9(2)4(3-15)11-5-6(14-9)12-8(10)13-7(5)16/h4,11,15H,3H2,1-2H3,(H4,10,12,13,14,16)
InChIKeyLOEPQKPZEPHMQI-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.67
Rot. Bonds1

About 2-amino-6-(hydroxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one

2-amino-6-(hydroxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one (PubChem CID 135626459) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-amino-6-(hydroxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one.

Molecular Properties

Compound Name2-amino-6-(hydroxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one
PubChem CID135626459
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name2-amino-6-(hydroxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one
SMILESCC1(C)Nc2nc(N)[nH]c(=O)c2NC1CO
InChIInChI=1S/C9H15N5O2/c1-9(2)4(3-15)11-5-6(14-9)12-8(10)13-7(5)16/h4,11,15H,3H2,1-2H3,(H4,10,12,13,14,16)
InChIKeyLOEPQKPZEPHMQI-UHFFFAOYSA-N
XLogP-0.67
TPSA116.06 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

Sapropterin
CID 135398654
Tetrahydrobiopterin
CID 135402045
(6R)-5,6,7,8-tetrahydrobiopterin
CID 135409384
7-(1,2-Dihydroxypropyl)-5,6,7,8-tetrahydrobiopterin
CID 135616732
6S-5,6,7,8-Tetrahydrobiopterin
CID 135509079
6-(Hydroxymethyl)tetrahydropterin
CID 135484783
(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-6-methyl-3,5,7,8-tetrahydropteridin-4-one
CID 137103756
(6S)-Tetrahydrobiopterin
CID 135481025
Tetrahydrobiopterin radical cation
CID 136047356
(6R)-L-threo-5,6,7,8-tetrahydrobiopterin
CID 136087393
(6R,1'R,2'S)-5,6,7,8 Tetrahydrobiopterin
CID 135905887
(6r)-Tetrahydro-l-biopterin
CID 135873473

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(hydroxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one?
The IUPAC name of 2-amino-6-(hydroxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one (CID 135626459) is 2-amino-6-(hydroxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one.
What is the SMILES notation for 2-amino-6-(hydroxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one?
The canonical SMILES for 2-amino-6-(hydroxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one is CC1(C)Nc2nc(N)[nH]c(=O)c2NC1CO.
What is the InChIKey of 2-amino-6-(hydroxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one?
The InChIKey is LOEPQKPZEPHMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-9(2)4(3-15)11-5-6(14-9)12-8(10)13-7(5)16/h4,11,15H,3H2,1-2H3,(H4,10,12,13,14,16).
What are the key properties of 2-amino-6-(hydroxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one?
2-amino-6-(hydroxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one has a molecular weight of 225.25 g/mol, XLogP of -0.67, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(hydroxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one is sourced from PubChem (CID 135626459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).