7-[[[(2R)-1-hydroxybutan-2-yl]-methylamino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C12H18N4O2 — CID 136600946

IUPAC7-[[[(2R)-1-hydroxybutan-2-yl]-methylamino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCC[C@H](CO)N(C)Cc1c[nH]c2c(=O)[nH]cnc12
InChIInChI=1S/C12H18N4O2/c1-3-9(6-17)16(2)5-8-4-13-11-10(8)14-7-15-12(11)18/h4,7,9,13,17H,3,5-6H2,1-2H3,(H,14,15,18)/t9-/m1/s1
InChIKeyMRVLNGAZQVJTQJ-SECBINFHSA-N
MW250.30 g/mol
LogP0.45
Rot. Bonds5

About 7-[[[(2R)-1-hydroxybutan-2-yl]-methylamino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

7-[[[(2R)-1-hydroxybutan-2-yl]-methylamino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 136600946) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 7-[[[(2R)-1-hydroxybutan-2-yl]-methylamino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[[[(2R)-1-hydroxybutan-2-yl]-methylamino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID136600946
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name7-[[[(2R)-1-hydroxybutan-2-yl]-methylamino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCC[C@H](CO)N(C)Cc1c[nH]c2c(=O)[nH]cnc12
InChIInChI=1S/C12H18N4O2/c1-3-9(6-17)16(2)5-8-4-13-11-10(8)14-7-15-12(11)18/h4,7,9,13,17H,3,5-6H2,1-2H3,(H,14,15,18)/t9-/m1/s1
InChIKeyMRVLNGAZQVJTQJ-SECBINFHSA-N
XLogP0.45
TPSA85.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 7-[[[(2R)-1-hydroxybutan-2-yl]-methylamino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

7-(aminomethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;ethanol;propane-1,2-diol
CID 143639833
7-[[[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135981877
7-[[[(2R,3R)-1,3,4-trihydroxybutan-2-yl]amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135723761
7-(butylaminomethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 136600944
7-(3-hydroxypropoxymethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135408954
7-[(3-hydroxypropylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride
CID 135858804
7-[(4-hydroxybutylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135858823
7-[[(2S,4R)-2,4-bis(hydroxymethyl)azetidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135783312
7-[3-(3-aminopropylsulfanylmethyl)-4-hydroxybutyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 159061078
7-[(4-ethylsulfanylbutylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135981856
7-[[2-(hydroxymethyl)azetidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135783314
3-[4-hydroxy-3-[(4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)methylamino]butyl]-7-[[(1-hydroxy-4-phenylbutan-2-yl)amino]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 137028587

Frequently Asked Questions

What is the IUPAC name of 7-[[[(2R)-1-hydroxybutan-2-yl]-methylamino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[[[(2R)-1-hydroxybutan-2-yl]-methylamino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 136600946) is 7-[[[(2R)-1-hydroxybutan-2-yl]-methylamino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[[[(2R)-1-hydroxybutan-2-yl]-methylamino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[[[(2R)-1-hydroxybutan-2-yl]-methylamino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is CC[C@H](CO)N(C)Cc1c[nH]c2c(=O)[nH]cnc12.
What is the InChIKey of 7-[[[(2R)-1-hydroxybutan-2-yl]-methylamino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is MRVLNGAZQVJTQJ-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-3-9(6-17)16(2)5-8-4-13-11-10(8)14-7-15-12(11)18/h4,7,9,13,17H,3,5-6H2,1-2H3,(H,14,15,18)/t9-/m1/s1.
What are the key properties of 7-[[[(2R)-1-hydroxybutan-2-yl]-methylamino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
7-[[[(2R)-1-hydroxybutan-2-yl]-methylamino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 250.30 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[[(2R)-1-hydroxybutan-2-yl]-methylamino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136600946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).