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

C6H6N4O — CID 135461003

IUPAC2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2cc[nH]c2c(=O)[nH]1
InChIInChI=1S/C6H6N4O/c7-6-9-3-1-2-8-4(3)5(11)10-6/h1-2,8H,(H3,7,9,10,11)
InChIKeyFFYPRJYSJODFFD-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.17
Rot. Bonds

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

2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135461003) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135461003
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2cc[nH]c2c(=O)[nH]1
InChIInChI=1S/C6H6N4O/c7-6-9-3-1-2-8-4(3)5(11)10-6/h1-2,8H,(H3,7,9,10,11)
InChIKeyFFYPRJYSJODFFD-UHFFFAOYSA-N
XLogP-0.17
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Peldesine
CID 135413525
9-Deazahypoxanthine
CID 135488881
1H-pyrrole-2-carboxamide
CID 573553
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
2-amino-7-benzyl-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
CID 135433598
2-Amino-7-pyridin-2-ylmethyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135552935
2-Amino-7-pyridin-4-ylmethyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135552936
2-Amino-7-cyclohex-1-enyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135552943
HGXPRT Inhibitor, 2
CID 136259531
2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-5-methylpyrrolo[3,2-d]pyrimidin-4-one
CID 71582959

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135461003) is 2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is Nc1nc2cc[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is FFYPRJYSJODFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c7-6-9-3-1-2-8-4(3)5(11)10-6/h1-2,8H,(H3,7,9,10,11).
What are the key properties of 2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 150.14 g/mol, XLogP of -0.17, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135461003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).