2-(cyclopropanecarbonyl)-8-[6-methyl-2-(methylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C19H27N5O3 — CID 56908162

IUPAC2-(cyclopropanecarbonyl)-8-[6-methyl-2-(methylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCNc1nc(C)cc(N2CCC3(CC2)CC(C(=O)O)N(C(=O)C2CC2)C3)n1
InChIInChI=1S/C19H27N5O3/c1-12-9-15(22-18(20-2)21-12)23-7-5-19(6-8-23)10-14(17(26)27)24(11-19)16(25)13-3-4-13/h9,13-14H,3-8,10-11H2,1-2H3,(H,26,27)(H,20,21,22)
InChIKeyILXZHWQOACFLQX-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.51
Rot. Bonds4

About 2-(cyclopropanecarbonyl)-8-[6-methyl-2-(methylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

2-(cyclopropanecarbonyl)-8-[6-methyl-2-(methylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56908162) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-(cyclopropanecarbonyl)-8-[6-methyl-2-(methylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropanecarbonyl)-8-[6-methyl-2-(methylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56908162
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name2-(cyclopropanecarbonyl)-8-[6-methyl-2-(methylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCNc1nc(C)cc(N2CCC3(CC2)CC(C(=O)O)N(C(=O)C2CC2)C3)n1
InChIInChI=1S/C19H27N5O3/c1-12-9-15(22-18(20-2)21-12)23-7-5-19(6-8-23)10-14(17(26)27)24(11-19)16(25)13-3-4-13/h9,13-14H,3-8,10-11H2,1-2H3,(H,26,27)(H,20,21,22)
InChIKeyILXZHWQOACFLQX-UHFFFAOYSA-N
XLogP1.51
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonyl)-8-[6-methyl-2-(methylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 2-(cyclopropanecarbonyl)-8-[6-methyl-2-(methylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56908162) is 2-(cyclopropanecarbonyl)-8-[6-methyl-2-(methylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 2-(cyclopropanecarbonyl)-8-[6-methyl-2-(methylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 2-(cyclopropanecarbonyl)-8-[6-methyl-2-(methylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CNc1nc(C)cc(N2CCC3(CC2)CC(C(=O)O)N(C(=O)C2CC2)C3)n1.
What is the InChIKey of 2-(cyclopropanecarbonyl)-8-[6-methyl-2-(methylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is ILXZHWQOACFLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-12-9-15(22-18(20-2)21-12)23-7-5-19(6-8-23)10-14(17(26)27)24(11-19)16(25)13-3-4-13/h9,13-14H,3-8,10-11H2,1-2H3,(H,26,27)(H,20,21,22).
What are the key properties of 2-(cyclopropanecarbonyl)-8-[6-methyl-2-(methylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
2-(cyclopropanecarbonyl)-8-[6-methyl-2-(methylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 373.46 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonyl)-8-[6-methyl-2-(methylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56908162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).