2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one

C11H19N5O — CID 136650500

IUPAC2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCC(C)(C)CC1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C11H19N5O/c1-11(2,3)4-6-5-13-8-7(14-6)9(17)16-10(12)15-8/h6,14H,4-5H2,1-3H3,(H4,12,13,15,16,17)
InChIKeyJMOVOEFKMGCMRM-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.99
Rot. Bonds1

About 2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one

2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one (PubChem CID 136650500) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
PubChem CID136650500
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCC(C)(C)CC1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C11H19N5O/c1-11(2,3)4-6-5-13-8-7(14-6)9(17)16-10(12)15-8/h6,14H,4-5H2,1-3H3,(H4,12,13,15,16,17)
InChIKeyJMOVOEFKMGCMRM-UHFFFAOYSA-N
XLogP0.99
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-Methyltetrahydropterin
CID 135443397
6,7-Dimethyl-5,6,7,8-tetrahydropterin
CID 135406872
2-Amino-6,7-dimethyl-5,6,7,8-tetrahydropteridin-4-ol hydrochloride
CID 135436549
6-Acetyl-2-amino-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one
CID 136152958
2,2-dimethyl-N-(5,6,7-trimethyl-4-oxo-3,4,5,6,7,8-hexahydro-2-pteridinyl)propanamide
CID 135401451
2-Amino-6-methylaminomethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135409922
6,6-Dimethyltetrahydropterin
CID 135537086
2-Amino-6-dimethylaminomethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 136035310
5,6-Dimethyl-5,6,7,8-tetrahydropterin
CID 135554447
(6r)-2-Amino-6-Methyl-5,6,7,8-Tetrahydropteridin-4(3h)-One
CID 135564796
(6S)-2-Amino-6-methyl-5,6,7,8-tetrahydropteridin-4(1H)-one
CID 135564797
Pteridine, 2-amino-3,4,5,6,7,8-hexahydro-3,5,6,7,7-pentamethyl-4-oxo-
CID 171384073

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one (CID 136650500) is 2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one is CC(C)(C)CC1CNc2nc(N)[nH]c(=O)c2N1.
What is the InChIKey of 2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The InChIKey is JMOVOEFKMGCMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-11(2,3)4-6-5-13-8-7(14-6)9(17)16-10(12)15-8/h6,14H,4-5H2,1-3H3,(H4,12,13,15,16,17).
What are the key properties of 2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one has a molecular weight of 237.31 g/mol, XLogP of 0.99, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one is sourced from PubChem (CID 136650500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).