(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride

C9H16ClN5O3 — CID 135796573

IUPAC(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride
SMILESC[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1.Cl
InChIInChI=1S/C9H15N5O3.ClH/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7;/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17);1H/t3-,4+,6-;/m0./s1
InChIKeyLUJOSUPKSLRJME-ZUOBHZEMSA-N
MW277.71 g/mol
LogP-1.28
Rot. Bonds2

About (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride

(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride (PubChem CID 135796573) has the molecular formula C9H16ClN5O3 and a molecular weight of 277.71 g/mol. Its IUPAC name is (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride.

Molecular Properties

Compound Name(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride
PubChem CID135796573
Molecular FormulaC9H16ClN5O3
Molecular Weight277.71 g/mol
Exact Mass277.09
IUPAC Name(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride
SMILESC[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1.Cl
InChIInChI=1S/C9H15N5O3.ClH/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7;/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17);1H/t3-,4+,6-;/m0./s1
InChIKeyLUJOSUPKSLRJME-ZUOBHZEMSA-N
XLogP-1.28
TPSA136.29 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.71
LogP ≤ 5-1.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride?
The IUPAC name of (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride (CID 135796573) is (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride.
What is the SMILES notation for (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride?
The canonical SMILES for (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride is C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1.Cl.
What is the InChIKey of (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride?
The InChIKey is LUJOSUPKSLRJME-ZUOBHZEMSA-N. The full InChI is InChI=1S/C9H15N5O3.ClH/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7;/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17);1H/t3-,4+,6-;/m0./s1.
What are the key properties of (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride?
(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride has a molecular weight of 277.71 g/mol, XLogP of -1.28, 2 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride is sourced from PubChem (CID 135796573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).