7-[(3-hydroxypropylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride

C10H15ClN4O2 — CID 135858804

IUPAC7-[(3-hydroxypropylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride
SMILESCl.O=c1[nH]cnc2c(CNCCCO)c[nH]c12
InChIInChI=1S/C10H14N4O2.ClH/c15-3-1-2-11-4-7-5-12-9-8(7)13-6-14-10(9)16;/h5-6,11-12,15H,1-4H2,(H,13,14,16);1H
InChIKeyAEWYSOWNHJCHSQ-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.14
Rot. Bonds5

About 7-[(3-hydroxypropylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride

7-[(3-hydroxypropylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride (PubChem CID 135858804) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 7-[(3-hydroxypropylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name7-[(3-hydroxypropylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride
PubChem CID135858804
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name7-[(3-hydroxypropylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride
SMILESCl.O=c1[nH]cnc2c(CNCCCO)c[nH]c12
InChIInChI=1S/C10H14N4O2.ClH/c15-3-1-2-11-4-7-5-12-9-8(7)13-6-14-10(9)16;/h5-6,11-12,15H,1-4H2,(H,13,14,16);1H
InChIKeyAEWYSOWNHJCHSQ-UHFFFAOYSA-N
XLogP0.14
TPSA93.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[(4-hydroxybutylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135858823
7-(butylaminomethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 136600944
7-[(4-ethylsulfanylbutylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135981856
7-(3-hydroxypropoxymethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135408954
7-[(5-diethoxyphosphorylpentylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 137079128
7-[[[(2R,3R)-1,3,4-trihydroxybutan-2-yl]amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135723761
7-[[[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135981877
2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]ethanol
CID 123946713
7-(aminomethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethanol;propane-1,2-diol
CID 143639833
7-[[(2S,4R)-2,4-bis(hydroxymethyl)azetidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135783312
7-[[[(2S)-2-hydroxy-4-phenylsulfanylbutyl]amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135981858
7-[3-(3-aminopropylsulfanylmethyl)-4-hydroxybutyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 159061078

Frequently Asked Questions

What is the IUPAC name of 7-[(3-hydroxypropylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride?
The IUPAC name of 7-[(3-hydroxypropylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride (CID 135858804) is 7-[(3-hydroxypropylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 7-[(3-hydroxypropylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 7-[(3-hydroxypropylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride is Cl.O=c1[nH]cnc2c(CNCCCO)c[nH]c12.
What is the InChIKey of 7-[(3-hydroxypropylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride?
The InChIKey is AEWYSOWNHJCHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2.ClH/c15-3-1-2-11-4-7-5-12-9-8(7)13-6-14-10(9)16;/h5-6,11-12,15H,1-4H2,(H,13,14,16);1H.
What are the key properties of 7-[(3-hydroxypropylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride?
7-[(3-hydroxypropylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride has a molecular weight of 258.71 g/mol, XLogP of 0.14, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-hydroxypropylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 135858804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).