2-amino-6-(1-hydroxyethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;dihydrochloride

C10H19Cl2N5O2 — CID 135626460

IUPAC2-amino-6-(1-hydroxyethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;dihydrochloride
SMILESCC(O)C1Nc2c(nc(N)[nH]c2=O)NC1(C)C.Cl.Cl
InChIInChI=1S/C10H17N5O2.2ClH/c1-4(16)6-10(2,3)15-7-5(12-6)8(17)14-9(11)13-7;;/h4,6,12,16H,1-3H3,(H4,11,13,14,15,17);2*1H
InChIKeyHBXJNTNEYQLIGR-UHFFFAOYSA-N
MW312.20 g/mol
LogP0.56
Rot. Bonds1

About 2-amino-6-(1-hydroxyethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;dihydrochloride

2-amino-6-(1-hydroxyethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;dihydrochloride (PubChem CID 135626460) has the molecular formula C10H19Cl2N5O2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 2-amino-6-(1-hydroxyethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-6-(1-hydroxyethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;dihydrochloride
PubChem CID135626460
Molecular FormulaC10H19Cl2N5O2
Molecular Weight312.20 g/mol
Exact Mass311.09
IUPAC Name2-amino-6-(1-hydroxyethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;dihydrochloride
SMILESCC(O)C1Nc2c(nc(N)[nH]c2=O)NC1(C)C.Cl.Cl
InChIInChI=1S/C10H17N5O2.2ClH/c1-4(16)6-10(2,3)15-7-5(12-6)8(17)14-9(11)13-7;;/h4,6,12,16H,1-3H3,(H4,11,13,14,15,17);2*1H
InChIKeyHBXJNTNEYQLIGR-UHFFFAOYSA-N
XLogP0.56
TPSA116.06 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 50.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-(methoxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;hydrochloride
CID 135626456
2-amino-7,7-dimethyl-5,8-dihydro-3H-pteridine-4,6-dione
CID 135403820
(8S)-2-amino-8-hydroxy-1,7,8,9-tetrahydropurin-6-one
CID 136740661
2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
CID 135445757
2-amino-6-[(2S)-1,2-dihydroxyhexyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 170057866
2-amino-6-(2-methylpropoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135998865
(2S)-2-[[5-[(1R,2S)-1-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]-1-hydroxypropan-2-yl]oxy-5-oxopentanoyl]amino]propanoic acid
CID 136638718
[1-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)-1-(pyrrolidine-2-carbonyloxy)propan-2-yl] pyrrolidine-2-carboxylate;trihydrochloride
CID 140539158
[(1R,2S)-1-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]-1-propanoyloxypropan-2-yl] propanoate
CID 135928958
2-amino-5-methyl-5,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-4,6-dione
CID 136818761
2-amino-6-(butoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
CID 135998862
methyl (2R)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate
CID 135659068

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(1-hydroxyethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;dihydrochloride?
The IUPAC name of 2-amino-6-(1-hydroxyethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;dihydrochloride (CID 135626460) is 2-amino-6-(1-hydroxyethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;dihydrochloride.
What is the SMILES notation for 2-amino-6-(1-hydroxyethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;dihydrochloride?
The canonical SMILES for 2-amino-6-(1-hydroxyethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;dihydrochloride is CC(O)C1Nc2c(nc(N)[nH]c2=O)NC1(C)C.Cl.Cl.
What is the InChIKey of 2-amino-6-(1-hydroxyethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;dihydrochloride?
The InChIKey is HBXJNTNEYQLIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2.2ClH/c1-4(16)6-10(2,3)15-7-5(12-6)8(17)14-9(11)13-7;;/h4,6,12,16H,1-3H3,(H4,11,13,14,15,17);2*1H.
What are the key properties of 2-amino-6-(1-hydroxyethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;dihydrochloride?
2-amino-6-(1-hydroxyethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;dihydrochloride has a molecular weight of 312.20 g/mol, XLogP of 0.56, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(1-hydroxyethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;dihydrochloride is sourced from PubChem (CID 135626460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).