6,9-dihydro-3H-pyrimido[2,1-b]purin-4-one

C8H7N5O — CID 136636166

IUPAC6,9-dihydro-3H-pyrimido[2,1-b]purin-4-one
SMILESO=c1nc2n(c3nc[nH]c13)CC=CN2
InChIInChI=1S/C8H7N5O/c14-7-5-6(11-4-10-5)13-3-1-2-9-8(13)12-7/h1-2,4H,3H2,(H,10,11)(H,9,12,14)
InChIKeyBTCKTDQGOCLURL-UHFFFAOYSA-N
MW189.18 g/mol
LogP0.06
Rot. Bonds

About 6,9-dihydro-3H-pyrimido[2,1-b]purin-4-one

6,9-dihydro-3H-pyrimido[2,1-b]purin-4-one (PubChem CID 136636166) has the molecular formula C8H7N5O and a molecular weight of 189.18 g/mol. Its IUPAC name is 6,9-dihydro-3H-pyrimido[2,1-b]purin-4-one.

Molecular Properties

Compound Name6,9-dihydro-3H-pyrimido[2,1-b]purin-4-one
PubChem CID136636166
Molecular FormulaC8H7N5O
Molecular Weight189.18 g/mol
Exact Mass189.07
IUPAC Name6,9-dihydro-3H-pyrimido[2,1-b]purin-4-one
SMILESO=c1nc2n(c3nc[nH]c13)CC=CN2
InChIInChI=1S/C8H7N5O/c14-7-5-6(11-4-10-5)13-3-1-2-9-8(13)12-7/h1-2,4H,3H2,(H,10,11)(H,9,12,14)
InChIKeyBTCKTDQGOCLURL-UHFFFAOYSA-N
XLogP0.06
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,8-dihydro-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
CID 137211537
2-amino-3-[3-(2-amino-6-oxo-7H-purin-3-yl)-3-hydroxypropyl]-7H-purin-6-one
CID 166594883
sodium;3-chloro-7H-purin-6-one;hydride;hydrate
CID 173344855
1,3-dimethyl-7H-purine-2,6-dione;molecular iodine
CID 160576225
2-amino-7,9-dihydro-1H-purine-6,8-dione;2-amino-3-hydroxy-7H-purin-6-one
CID 137184580
1,3-dimethyl-6-sulfinyl-7H-purin-2-one
CID 607238
4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione
CID 114785546
3-[[3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-7H-purin-2-yl]amino]prop-2-enal
CID 175201602
1,2-diamino-7H-purin-6-one
CID 15628862
6-(3,6-dihydro-2H-pyridin-1-yl)-7H-purin-2-amine
CID 104623927
1-(2-amino-6-oxo-7H-purin-3-yl)propan-2-yloxymethylphosphonic acid
CID 140652919
1,7-dihydropurin-6-one
CID 135546991

Frequently Asked Questions

What is the IUPAC name of 6,9-dihydro-3H-pyrimido[2,1-b]purin-4-one?
The IUPAC name of 6,9-dihydro-3H-pyrimido[2,1-b]purin-4-one (CID 136636166) is 6,9-dihydro-3H-pyrimido[2,1-b]purin-4-one.
What is the SMILES notation for 6,9-dihydro-3H-pyrimido[2,1-b]purin-4-one?
The canonical SMILES for 6,9-dihydro-3H-pyrimido[2,1-b]purin-4-one is O=c1nc2n(c3nc[nH]c13)CC=CN2.
What is the InChIKey of 6,9-dihydro-3H-pyrimido[2,1-b]purin-4-one?
The InChIKey is BTCKTDQGOCLURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O/c14-7-5-6(11-4-10-5)13-3-1-2-9-8(13)12-7/h1-2,4H,3H2,(H,10,11)(H,9,12,14).
What are the key properties of 6,9-dihydro-3H-pyrimido[2,1-b]purin-4-one?
6,9-dihydro-3H-pyrimido[2,1-b]purin-4-one has a molecular weight of 189.18 g/mol, XLogP of 0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dihydro-3H-pyrimido[2,1-b]purin-4-one is sourced from PubChem (CID 136636166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).