8-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C16H20N8O2 — CID 166628816

IUPAC8-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1cnc(Nc2cnn(C)c2)nc1N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C16H20N8O2/c1-10-7-17-14(19-11-8-18-23(2)9-11)20-12(10)24-5-3-16(4-6-24)13(25)21-15(26)22-16/h7-9H,3-6H2,1-2H3,(H,17,19,20)(H2,21,22,25,26)
InChIKeyCIROHYIOBWWCMQ-UHFFFAOYSA-N
MW356.39 g/mol
LogP0.44
Rot. Bonds3

About 8-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 166628816) has the molecular formula C16H20N8O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 8-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID166628816
Molecular FormulaC16H20N8O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Name8-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1cnc(Nc2cnn(C)c2)nc1N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C16H20N8O2/c1-10-7-17-14(19-11-8-18-23(2)9-11)20-12(10)24-5-3-16(4-6-24)13(25)21-15(26)22-16/h7-9H,3-6H2,1-2H3,(H,17,19,20)(H2,21,22,25,26)
InChIKeyCIROHYIOBWWCMQ-UHFFFAOYSA-N
XLogP0.44
TPSA117.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 166628816) is 8-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1cnc(Nc2cnn(C)c2)nc1N1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is CIROHYIOBWWCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O2/c1-10-7-17-14(19-11-8-18-23(2)9-11)20-12(10)24-5-3-16(4-6-24)13(25)21-15(26)22-16/h7-9H,3-6H2,1-2H3,(H,17,19,20)(H2,21,22,25,26).
What are the key properties of 8-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 356.39 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 166628816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).