2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-5-ium-4-one chloride

C8H14ClN5O — CID 162305195

IUPAC2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-5-ium-4-one chloride
SMILESCC1Nc2nc(N)[nH]c(=O)c2[NH2+]C1C.[Cl-]
InChIInChI=1S/C8H13N5O.ClH/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6;/h3-4,10H,1-2H3,(H4,9,11,12,13,14);1H
InChIKeyGIHYTRGUZVYCQX-UHFFFAOYSA-N
MW231.69 g/mol
LogP-4.25
Rot. Bonds

About 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-5-ium-4-one chloride

2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-5-ium-4-one chloride (PubChem CID 162305195) has the molecular formula C8H14ClN5O and a molecular weight of 231.69 g/mol. Its IUPAC name is 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-5-ium-4-one chloride.

Molecular Properties

Compound Name2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-5-ium-4-one chloride
PubChem CID162305195
Molecular FormulaC8H14ClN5O
Molecular Weight231.69 g/mol
Exact Mass231.09
IUPAC Name2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-5-ium-4-one chloride
SMILESCC1Nc2nc(N)[nH]c(=O)c2[NH2+]C1C.[Cl-]
InChIInChI=1S/C8H13N5O.ClH/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6;/h3-4,10H,1-2H3,(H4,9,11,12,13,14);1H
InChIKeyGIHYTRGUZVYCQX-UHFFFAOYSA-N
XLogP-4.25
TPSA100.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 5-4.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-5-ium-4-one chloride with MolForge

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Related Compounds

6-Methyltetrahydropterin
CID 135443397
6-Methyl-7,8-dihydropterin
CID 135420615
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
2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-4(3H)-pteridinone
CID 135401455
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
2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
CID 135998863
Pepteridine A
CID 146684612
Pepteridine B
CID 146684613
(+/-)-6-Methyl-5,6,7,8-tetrahydropterine dihydrochloride
CID 135445757
Tetrahydropterin
CID 135453284

Frequently Asked Questions

What is the IUPAC name of 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-5-ium-4-one chloride?
The IUPAC name of 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-5-ium-4-one chloride (CID 162305195) is 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-5-ium-4-one chloride.
What is the SMILES notation for 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-5-ium-4-one chloride?
The canonical SMILES for 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-5-ium-4-one chloride is CC1Nc2nc(N)[nH]c(=O)c2[NH2+]C1C.[Cl-].
What is the InChIKey of 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-5-ium-4-one chloride?
The InChIKey is GIHYTRGUZVYCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O.ClH/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6;/h3-4,10H,1-2H3,(H4,9,11,12,13,14);1H.
What are the key properties of 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-5-ium-4-one chloride?
2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-5-ium-4-one chloride has a molecular weight of 231.69 g/mol, XLogP of -4.25, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-5-ium-4-one chloride is sourced from PubChem (CID 162305195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).