1,4-dimethyl-9-(6-propan-2-ylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecane

C17H29N5 — CID 72873952

IUPAC1,4-dimethyl-9-(6-propan-2-ylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecane
SMILESCC(C)c1cc(N2CCC3(CC2)CN(C)CCN3C)ncn1
InChIInChI=1S/C17H29N5/c1-14(2)15-11-16(19-13-18-15)22-7-5-17(6-8-22)12-20(3)9-10-21(17)4/h11,13-14H,5-10,12H2,1-4H3
InChIKeyUFOXOYDJJIOXLY-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.82
Rot. Bonds2

About 1,4-dimethyl-9-(6-propan-2-ylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecane

1,4-dimethyl-9-(6-propan-2-ylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecane (PubChem CID 72873952) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1,4-dimethyl-9-(6-propan-2-ylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecane.

Molecular Properties

Compound Name1,4-dimethyl-9-(6-propan-2-ylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecane
PubChem CID72873952
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC Name1,4-dimethyl-9-(6-propan-2-ylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecane
SMILESCC(C)c1cc(N2CCC3(CC2)CN(C)CCN3C)ncn1
InChIInChI=1S/C17H29N5/c1-14(2)15-11-16(19-13-18-15)22-7-5-17(6-8-22)12-20(3)9-10-21(17)4/h11,13-14H,5-10,12H2,1-4H3
InChIKeyUFOXOYDJJIOXLY-UHFFFAOYSA-N
XLogP1.82
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-9-(6-propan-2-ylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecane?
The IUPAC name of 1,4-dimethyl-9-(6-propan-2-ylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecane (CID 72873952) is 1,4-dimethyl-9-(6-propan-2-ylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecane.
What is the SMILES notation for 1,4-dimethyl-9-(6-propan-2-ylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecane?
The canonical SMILES for 1,4-dimethyl-9-(6-propan-2-ylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecane is CC(C)c1cc(N2CCC3(CC2)CN(C)CCN3C)ncn1.
What is the InChIKey of 1,4-dimethyl-9-(6-propan-2-ylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecane?
The InChIKey is UFOXOYDJJIOXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5/c1-14(2)15-11-16(19-13-18-15)22-7-5-17(6-8-22)12-20(3)9-10-21(17)4/h11,13-14H,5-10,12H2,1-4H3.
What are the key properties of 1,4-dimethyl-9-(6-propan-2-ylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecane?
1,4-dimethyl-9-(6-propan-2-ylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecane has a molecular weight of 303.45 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-9-(6-propan-2-ylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecane is sourced from PubChem (CID 72873952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).