8-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C18H22N6O2 — CID 72858507

IUPAC8-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1cc(C)c2c(N3CCC4(CC3)C(=O)N(C)C(=O)N4C)ncnc2n1
InChIInChI=1S/C18H22N6O2/c1-11-9-12(2)21-14-13(11)15(20-10-19-14)24-7-5-18(6-8-24)16(25)22(3)17(26)23(18)4/h9-10H,5-8H2,1-4H3
InChIKeyZLEFRELYIQWWQA-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.50
Rot. Bonds1

About 8-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 72858507) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 8-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID72858507
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name8-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1cc(C)c2c(N3CCC4(CC3)C(=O)N(C)C(=O)N4C)ncnc2n1
InChIInChI=1S/C18H22N6O2/c1-11-9-12(2)21-14-13(11)15(20-10-19-14)24-7-5-18(6-8-24)16(25)22(3)17(26)23(18)4/h9-10H,5-8H2,1-4H3
InChIKeyZLEFRELYIQWWQA-UHFFFAOYSA-N
XLogP1.50
TPSA82.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-8-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 155501885
4-(azepan-1-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine
CID 72870631
(3S)-8-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-ol
CID 97202958
5,7-dimethyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine
CID 72874109
5,7-dimethyl-4-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)pyrido[2,3-d]pyrimidine
CID 72905652
9-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane
CID 72857697
4-[4-(ethoxymethyl)piperidin-1-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine
CID 72930753
2-(1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-4-methylquinoline-3-carbonitrile
CID 146040565
1,3-dimethyl-8-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 135110183
(1R)-1-[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-phenylpropan-1-ol
CID 97203919
[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(3-methylthiophen-2-yl)methanone
CID 72858923
8-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 91839631

Frequently Asked Questions

What is the IUPAC name of 8-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 72858507) is 8-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1cc(C)c2c(N3CCC4(CC3)C(=O)N(C)C(=O)N4C)ncnc2n1.
What is the InChIKey of 8-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is ZLEFRELYIQWWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-11-9-12(2)21-14-13(11)15(20-10-19-14)24-7-5-18(6-8-24)16(25)22(3)17(26)23(18)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 8-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 354.41 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 72858507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).