2-amino-6-(1,2-dihydroxypropyl)-6,7-dihydro-3H-pteridin-4-one;hydrochloride

C9H14ClN5O3 — CID 167996257

IUPAC2-amino-6-(1,2-dihydroxypropyl)-6,7-dihydro-3H-pteridin-4-one;hydrochloride
SMILESCC(O)C(O)C1CN=c2nc(N)[nH]c(=O)c2=N1.Cl
InChIInChI=1S/C9H13N5O3.ClH/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7;/h3-4,6,15-16H,2H2,1H3,(H3,10,11,13,14,17);1H
InChIKeySWHYJSMRUIOMKW-UHFFFAOYSA-N
MW275.70 g/mol
LogP-2.86
Rot. Bonds2

About 2-amino-6-(1,2-dihydroxypropyl)-6,7-dihydro-3H-pteridin-4-one;hydrochloride

2-amino-6-(1,2-dihydroxypropyl)-6,7-dihydro-3H-pteridin-4-one;hydrochloride (PubChem CID 167996257) has the molecular formula C9H14ClN5O3 and a molecular weight of 275.70 g/mol. Its IUPAC name is 2-amino-6-(1,2-dihydroxypropyl)-6,7-dihydro-3H-pteridin-4-one;hydrochloride.

Molecular Properties

Compound Name2-amino-6-(1,2-dihydroxypropyl)-6,7-dihydro-3H-pteridin-4-one;hydrochloride
PubChem CID167996257
Molecular FormulaC9H14ClN5O3
Molecular Weight275.70 g/mol
Exact Mass275.08
IUPAC Name2-amino-6-(1,2-dihydroxypropyl)-6,7-dihydro-3H-pteridin-4-one;hydrochloride
SMILESCC(O)C(O)C1CN=c2nc(N)[nH]c(=O)c2=N1.Cl
InChIInChI=1S/C9H13N5O3.ClH/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7;/h3-4,6,15-16H,2H2,1H3,(H3,10,11,13,14,17);1H
InChIKeySWHYJSMRUIOMKW-UHFFFAOYSA-N
XLogP-2.86
TPSA136.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 5-2.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-6-(1-hydroxyethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;dihydrochloride
CID 135626460
(6R)-2-amino-5-[(2S)-2-amino-3-methylbutanoyl]-6-[(1R,2S)-1,2-dihydroxypropyl]-3,6,7,8-tetrahydropteridin-4-one
CID 135914671
(2S)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate
CID 135832719
2-amino-5-tert-butyl-4-hydroxy-1H-pyrimidin-6-one
CID 150908321
5-amino-3-propan-2-yl-3,6-dihydrotriazolo[4,5-d]pyrimidin-3-ium-7-one
CID 163866310
(4aS,6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-4a-hydroxy-3,5,6,7,8,8a-hexahydropteridin-4-one
CID 171124029
(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5-[(2S)-pyrrolidine-2-carbonyl]-3,6,7,8-tetrahydropteridin-4-one
CID 135914681
bis(5-acetyl-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-3,6,7,8-tetrahydropteridin-4-one);2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 157097655
2-[2-amino-5-(cyclopropylmethyl)-6-oxo-1H-pyrimidin-4-yl]acetic acid
CID 136921389
5-amino-3-[5-(1-hydroxypropyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 145414487
2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 175471479
2-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 117260668

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(1,2-dihydroxypropyl)-6,7-dihydro-3H-pteridin-4-one;hydrochloride?
The IUPAC name of 2-amino-6-(1,2-dihydroxypropyl)-6,7-dihydro-3H-pteridin-4-one;hydrochloride (CID 167996257) is 2-amino-6-(1,2-dihydroxypropyl)-6,7-dihydro-3H-pteridin-4-one;hydrochloride.
What is the SMILES notation for 2-amino-6-(1,2-dihydroxypropyl)-6,7-dihydro-3H-pteridin-4-one;hydrochloride?
The canonical SMILES for 2-amino-6-(1,2-dihydroxypropyl)-6,7-dihydro-3H-pteridin-4-one;hydrochloride is CC(O)C(O)C1CN=c2nc(N)[nH]c(=O)c2=N1.Cl.
What is the InChIKey of 2-amino-6-(1,2-dihydroxypropyl)-6,7-dihydro-3H-pteridin-4-one;hydrochloride?
The InChIKey is SWHYJSMRUIOMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3.ClH/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7;/h3-4,6,15-16H,2H2,1H3,(H3,10,11,13,14,17);1H.
What are the key properties of 2-amino-6-(1,2-dihydroxypropyl)-6,7-dihydro-3H-pteridin-4-one;hydrochloride?
2-amino-6-(1,2-dihydroxypropyl)-6,7-dihydro-3H-pteridin-4-one;hydrochloride has a molecular weight of 275.70 g/mol, XLogP of -2.86, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(1,2-dihydroxypropyl)-6,7-dihydro-3H-pteridin-4-one;hydrochloride is sourced from PubChem (CID 167996257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).