2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride

C8H14ClN5O — CID 135436549

IUPAC2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride
SMILESCC1Nc2nc(N)[nH]c(=O)c2NC1C.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
LogP0.39
Rot. Bonds

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

2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride (PubChem CID 135436549) 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-4-one;hydrochloride.

Molecular Properties

Compound Name2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride
PubChem CID135436549
Molecular FormulaC8H14ClN5O
Molecular Weight231.69 g/mol
Exact Mass231.09
IUPAC Name2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride
SMILESCC1Nc2nc(N)[nH]c(=O)c2NC1C.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
XLogP0.39
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride?
The IUPAC name of 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride (CID 135436549) is 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride.
What is the SMILES notation for 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride?
The canonical SMILES for 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride is CC1Nc2nc(N)[nH]c(=O)c2NC1C.Cl.
What is the InChIKey of 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride?
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-4-one;hydrochloride?
2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride has a molecular weight of 231.69 g/mol, XLogP of 0.39, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride is sourced from PubChem (CID 135436549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).