8-[4-(dimethylamino)pyrimidin-2-yl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C18H29N5O2 — CID 56882899

IUPAC8-[4-(dimethylamino)pyrimidin-2-yl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CC2(CCN(c3nccc(N(C)C)n3)CC2)CC1C(=O)O
InChIInChI=1S/C18H29N5O2/c1-4-9-23-13-18(12-14(23)16(24)25)6-10-22(11-7-18)17-19-8-5-15(20-17)21(2)3/h5,8,14H,4,6-7,9-13H2,1-3H3,(H,24,25)
InChIKeyLXGVHIXHLPAPOC-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.70
Rot. Bonds5

About 8-[4-(dimethylamino)pyrimidin-2-yl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-[4-(dimethylamino)pyrimidin-2-yl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56882899) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 8-[4-(dimethylamino)pyrimidin-2-yl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-[4-(dimethylamino)pyrimidin-2-yl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56882899
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name8-[4-(dimethylamino)pyrimidin-2-yl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CC2(CCN(c3nccc(N(C)C)n3)CC2)CC1C(=O)O
InChIInChI=1S/C18H29N5O2/c1-4-9-23-13-18(12-14(23)16(24)25)6-10-22(11-7-18)17-19-8-5-15(20-17)21(2)3/h5,8,14H,4,6-7,9-13H2,1-3H3,(H,24,25)
InChIKeyLXGVHIXHLPAPOC-UHFFFAOYSA-N
XLogP1.70
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(dimethylamino)pyrimidin-2-yl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-[4-(dimethylamino)pyrimidin-2-yl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56882899) is 8-[4-(dimethylamino)pyrimidin-2-yl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-[4-(dimethylamino)pyrimidin-2-yl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-[4-(dimethylamino)pyrimidin-2-yl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCCN1CC2(CCN(c3nccc(N(C)C)n3)CC2)CC1C(=O)O.
What is the InChIKey of 8-[4-(dimethylamino)pyrimidin-2-yl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is LXGVHIXHLPAPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-4-9-23-13-18(12-14(23)16(24)25)6-10-22(11-7-18)17-19-8-5-15(20-17)21(2)3/h5,8,14H,4,6-7,9-13H2,1-3H3,(H,24,25).
What are the key properties of 8-[4-(dimethylamino)pyrimidin-2-yl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-[4-(dimethylamino)pyrimidin-2-yl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 347.46 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(dimethylamino)pyrimidin-2-yl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56882899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).