1,10-dimethyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one

C16H25N5O — CID 70758121

IUPAC1,10-dimethyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1nccc(N2CCN(C)C3(CCC(=O)N(C)CC3)C2)n1
InChIInChI=1S/C16H25N5O/c1-13-17-8-5-14(18-13)21-11-10-20(3)16(12-21)6-4-15(22)19(2)9-7-16/h5,8H,4,6-7,9-12H2,1-3H3
InChIKeyULXNRXBSWALTNZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.92
Rot. Bonds1

About 1,10-dimethyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one

1,10-dimethyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 70758121) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 1,10-dimethyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name1,10-dimethyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID70758121
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name1,10-dimethyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1nccc(N2CCN(C)C3(CCC(=O)N(C)CC3)C2)n1
InChIInChI=1S/C16H25N5O/c1-13-17-8-5-14(18-13)21-11-10-20(3)16(12-21)6-4-15(22)19(2)9-7-16/h5,8H,4,6-7,9-12H2,1-3H3
InChIKeyULXNRXBSWALTNZ-UHFFFAOYSA-N
XLogP0.92
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,10-dimethyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 1,10-dimethyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 70758121) is 1,10-dimethyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 1,10-dimethyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 1,10-dimethyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one is Cc1nccc(N2CCN(C)C3(CCC(=O)N(C)CC3)C2)n1.
What is the InChIKey of 1,10-dimethyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is ULXNRXBSWALTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-13-17-8-5-14(18-13)21-11-10-20(3)16(12-21)6-4-15(22)19(2)9-7-16/h5,8H,4,6-7,9-12H2,1-3H3.
What are the key properties of 1,10-dimethyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
1,10-dimethyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 303.41 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dimethyl-4-(2-methylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 70758121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).