2-methoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C7H7N3O2 — CID 152647551

IUPAC2-methoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCOc1nc2cc[nH]c2c(=O)[nH]1
InChIInChI=1S/C7H7N3O2/c1-12-7-9-4-2-3-8-5(4)6(11)10-7/h2-3,8H,1H3,(H,9,10,11)
InChIKeyPXPZHUHJJCHHLW-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.26
Rot. Bonds1

About 2-methoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

2-methoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 152647551) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 2-methoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID152647551
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name2-methoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCOc1nc2cc[nH]c2c(=O)[nH]1
InChIInChI=1S/C7H7N3O2/c1-12-7-9-4-2-3-8-5(4)6(11)10-7/h2-3,8H,1H3,(H,9,10,11)
InChIKeyPXPZHUHJJCHHLW-UHFFFAOYSA-N
XLogP0.26
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-Deazaguanine
CID 135461003
9-Deazahypoxanthine
CID 135488881
1H-Pyrrolo(3,2-d)pyrimidine-2,4(3H,5H)-dione, 1,3-dimethyl-
CID 206249
3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one
CID 138105960
1,3-Dipropyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 10376784
HGXPRT Inhibitor, 2
CID 136259531
2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 71718946
3-Methyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
CID 10034949
Kikumycin A
CID 135616733
1,5-Dihydro-Pyrrolo(3,2-D)Pyrimidine-2,4-Dione
CID 592097
3-Propyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 10241692
2-Amino-3-methyl-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
CID 10535013

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-methoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 152647551) is 2-methoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-methoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is COc1nc2cc[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-methoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is PXPZHUHJJCHHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-12-7-9-4-2-3-8-5(4)6(11)10-7/h2-3,8H,1H3,(H,9,10,11).
What are the key properties of 2-methoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-methoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 165.15 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 152647551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).