2-amino-7-[[3-hydroxy-2-(hydroxymethyl)azetidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C11H15N5O3 — CID 135875970

IUPAC2-amino-7-[[3-hydroxy-2-(hydroxymethyl)azetidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(CN3CC(O)C3CO)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C11H15N5O3/c12-11-14-8-5(1-13-9(8)10(19)15-11)2-16-3-7(18)6(16)4-17/h1,6-7,13,17-18H,2-4H2,(H3,12,14,15,19)
InChIKeyPTCMMULCKWUMSB-UHFFFAOYSA-N
MW265.27 g/mol
LogP-1.63
Rot. Bonds3

About 2-amino-7-[[3-hydroxy-2-(hydroxymethyl)azetidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

2-amino-7-[[3-hydroxy-2-(hydroxymethyl)azetidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135875970) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-amino-7-[[3-hydroxy-2-(hydroxymethyl)azetidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-[[3-hydroxy-2-(hydroxymethyl)azetidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135875970
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name2-amino-7-[[3-hydroxy-2-(hydroxymethyl)azetidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(CN3CC(O)C3CO)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C11H15N5O3/c12-11-14-8-5(1-13-9(8)10(19)15-11)2-16-3-7(18)6(16)4-17/h1,6-7,13,17-18H,2-4H2,(H3,12,14,15,19)
InChIKeyPTCMMULCKWUMSB-UHFFFAOYSA-N
XLogP-1.63
TPSA131.26 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-1.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-7-[[(2S,4R)-2,4-bis(hydroxymethyl)azetidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135875978
2-amino-7-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135541915
7-(2-adamantylmethyl)-2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135552939
2-amino-7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135546509
2-amino-7-[(3-methylcyclohexyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135621414
2-amino-7-(furan-2-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135457912
2-amino-7-[(4-methoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135519058
2-amino-7-[(4-iodophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135500041
2-amino-7-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-amino-7-[[3-(2-diethoxyphosphorylethoxy)-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;2-diethoxyphosphorylethyl trifluoromethanesulfonate
CID 161402228
2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135753513
2-amino-7-[(3,4-dichlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135412825
7-[[2-(hydroxymethyl)azetidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135783314

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[[3-hydroxy-2-(hydroxymethyl)azetidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-[[3-hydroxy-2-(hydroxymethyl)azetidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135875970) is 2-amino-7-[[3-hydroxy-2-(hydroxymethyl)azetidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-[[3-hydroxy-2-(hydroxymethyl)azetidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-[[3-hydroxy-2-(hydroxymethyl)azetidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is Nc1nc2c(CN3CC(O)C3CO)c[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-7-[[3-hydroxy-2-(hydroxymethyl)azetidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is PTCMMULCKWUMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c12-11-14-8-5(1-13-9(8)10(19)15-11)2-16-3-7(18)6(16)4-17/h1,6-7,13,17-18H,2-4H2,(H3,12,14,15,19).
What are the key properties of 2-amino-7-[[3-hydroxy-2-(hydroxymethyl)azetidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-[[3-hydroxy-2-(hydroxymethyl)azetidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 265.27 g/mol, XLogP of -1.63, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[[3-hydroxy-2-(hydroxymethyl)azetidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135875970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).