1,3-dimethyl-8-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C17H20N6O2 — CID 155501885

IUPAC1,3-dimethyl-8-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc2ncnc(N3CCC4(CC3)C(=O)N(C)C(=O)N4C)c2n1
InChIInChI=1S/C17H20N6O2/c1-11-4-5-12-13(20-11)14(19-10-18-12)23-8-6-17(7-9-23)15(24)21(2)16(25)22(17)3/h4-5,10H,6-9H2,1-3H3
InChIKeyWUBRFDOFTFRRPC-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.20
Rot. Bonds1

About 1,3-dimethyl-8-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1,3-dimethyl-8-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 155501885) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1,3-dimethyl-8-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-8-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID155501885
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name1,3-dimethyl-8-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc2ncnc(N3CCC4(CC3)C(=O)N(C)C(=O)N4C)c2n1
InChIInChI=1S/C17H20N6O2/c1-11-4-5-12-13(20-11)14(19-10-18-12)23-8-6-17(7-9-23)15(24)21(2)16(25)22(17)3/h4-5,10H,6-9H2,1-3H3
InChIKeyWUBRFDOFTFRRPC-UHFFFAOYSA-N
XLogP1.20
TPSA82.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-8-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1,3-dimethyl-8-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 155501885) is 1,3-dimethyl-8-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-8-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1,3-dimethyl-8-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1ccc2ncnc(N3CCC4(CC3)C(=O)N(C)C(=O)N4C)c2n1.
What is the InChIKey of 1,3-dimethyl-8-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is WUBRFDOFTFRRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-11-4-5-12-13(20-11)14(19-10-18-12)23-8-6-17(7-9-23)15(24)21(2)16(25)22(17)3/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 1,3-dimethyl-8-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1,3-dimethyl-8-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 340.39 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-8-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 155501885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).