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

C7H12ClN5O2 — CID 135510088

IUPAC2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride
SMILESCl.Nc1nc2c(c(=O)[nH]1)NC(CO)CN2
InChIInChI=1S/C7H11N5O2.ClH/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5;/h3,10,13H,1-2H2,(H4,8,9,11,12,14);1H
InChIKeyCHXHYPIZJNVGPD-UHFFFAOYSA-N
MW233.66 g/mol
LogP-1.03
Rot. Bonds1

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

2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride (PubChem CID 135510088) has the molecular formula C7H12ClN5O2 and a molecular weight of 233.66 g/mol. Its IUPAC name is 2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride.

Molecular Properties

Compound Name2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride
PubChem CID135510088
Molecular FormulaC7H12ClN5O2
Molecular Weight233.66 g/mol
Exact Mass233.07
IUPAC Name2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride
SMILESCl.Nc1nc2c(c(=O)[nH]1)NC(CO)CN2
InChIInChI=1S/C7H11N5O2.ClH/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5;/h3,10,13H,1-2H2,(H4,8,9,11,12,14);1H
InChIKeyCHXHYPIZJNVGPD-UHFFFAOYSA-N
XLogP-1.03
TPSA116.06 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 5-1.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride?
The IUPAC name of 2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride (CID 135510088) is 2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride.
What is the SMILES notation for 2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride?
The canonical SMILES for 2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride is Cl.Nc1nc2c(c(=O)[nH]1)NC(CO)CN2.
What is the InChIKey of 2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride?
The InChIKey is CHXHYPIZJNVGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2.ClH/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5;/h3,10,13H,1-2H2,(H4,8,9,11,12,14);1H.
What are the key properties of 2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride?
2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride has a molecular weight of 233.66 g/mol, XLogP of -1.03, 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)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride is sourced from PubChem (CID 135510088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).