8-(6-cyclopropylpyrimidin-4-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C19H28N4O2 — CID 56901714

IUPAC8-(6-cyclopropylpyrimidin-4-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CC2(CCN(c3cc(C4CC4)ncn3)CC2)CC1C(=O)O
InChIInChI=1S/C19H28N4O2/c1-2-7-23-12-19(11-16(23)18(24)25)5-8-22(9-6-19)17-10-15(14-3-4-14)20-13-21-17/h10,13-14,16H,2-9,11-12H2,1H3,(H,24,25)
InChIKeyKNJAUWRSHOEUJP-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.51
Rot. Bonds5

About 8-(6-cyclopropylpyrimidin-4-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(6-cyclopropylpyrimidin-4-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56901714) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 8-(6-cyclopropylpyrimidin-4-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(6-cyclopropylpyrimidin-4-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56901714
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name8-(6-cyclopropylpyrimidin-4-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CC2(CCN(c3cc(C4CC4)ncn3)CC2)CC1C(=O)O
InChIInChI=1S/C19H28N4O2/c1-2-7-23-12-19(11-16(23)18(24)25)5-8-22(9-6-19)17-10-15(14-3-4-14)20-13-21-17/h10,13-14,16H,2-9,11-12H2,1H3,(H,24,25)
InChIKeyKNJAUWRSHOEUJP-UHFFFAOYSA-N
XLogP2.51
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(6-cyclopropylpyrimidin-4-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(6-cyclopropylpyrimidin-4-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56901714) is 8-(6-cyclopropylpyrimidin-4-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(6-cyclopropylpyrimidin-4-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(6-cyclopropylpyrimidin-4-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCCN1CC2(CCN(c3cc(C4CC4)ncn3)CC2)CC1C(=O)O.
What is the InChIKey of 8-(6-cyclopropylpyrimidin-4-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is KNJAUWRSHOEUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-2-7-23-12-19(11-16(23)18(24)25)5-8-22(9-6-19)17-10-15(14-3-4-14)20-13-21-17/h10,13-14,16H,2-9,11-12H2,1H3,(H,24,25).
What are the key properties of 8-(6-cyclopropylpyrimidin-4-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(6-cyclopropylpyrimidin-4-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 344.46 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-cyclopropylpyrimidin-4-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56901714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).