7-(5,6-dimethylpyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C12H15N5O2 — CID 155798235

IUPAC7-(5,6-dimethylpyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCc1ncnc(N2CCC3(C2)NC(=O)NC3=O)c1C
InChIInChI=1S/C12H15N5O2/c1-7-8(2)13-6-14-9(7)17-4-3-12(5-17)10(18)15-11(19)16-12/h6H,3-5H2,1-2H3,(H2,15,16,18,19)
InChIKeyCDJKEPFLBQGHSX-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.12
Rot. Bonds1

About 7-(5,6-dimethylpyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

7-(5,6-dimethylpyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 155798235) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 7-(5,6-dimethylpyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-(5,6-dimethylpyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID155798235
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name7-(5,6-dimethylpyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCc1ncnc(N2CCC3(C2)NC(=O)NC3=O)c1C
InChIInChI=1S/C12H15N5O2/c1-7-8(2)13-6-14-9(7)17-4-3-12(5-17)10(18)15-11(19)16-12/h6H,3-5H2,1-2H3,(H2,15,16,18,19)
InChIKeyCDJKEPFLBQGHSX-UHFFFAOYSA-N
XLogP-0.12
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

8-(4,6-dimethylpyrimidin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 154829225
7-(2-methylpyrido[3,4-d]pyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 155798587
4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6-dimethylpyrimidine
CID 171992582
7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996250
4-[(dimethylamino)methyl]-1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-ol
CID 138053338
8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrate
CID 154701034
9-(5,6-dimethylpyrimidin-4-yl)-2-[(2S)-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97116547
7-(4-ethoxy-1,3-benzothiazol-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 155798491
8-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 21350625
8-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 154829409
8-(5,6-dimethylpyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72897530
4-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylpyrimidine
CID 139028592

Frequently Asked Questions

What is the IUPAC name of 7-(5,6-dimethylpyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-(5,6-dimethylpyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 155798235) is 7-(5,6-dimethylpyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-(5,6-dimethylpyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-(5,6-dimethylpyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is Cc1ncnc(N2CCC3(C2)NC(=O)NC3=O)c1C.
What is the InChIKey of 7-(5,6-dimethylpyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is CDJKEPFLBQGHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7-8(2)13-6-14-9(7)17-4-3-12(5-17)10(18)15-11(19)16-12/h6H,3-5H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 7-(5,6-dimethylpyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-(5,6-dimethylpyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 261.28 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5,6-dimethylpyrimidin-4-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 155798235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).