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2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide

C21H25Cl2N5O — CID 155095691

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C21H25Cl2N5O/c1-12-16(13-4-2-5-14(22)17(13)23)18(19(25)29)27-20(26-12)28-10-8-21(9-11-28)7-3-6-15(21)24/h2,4-5,15H,3,6-11,24H2,1H3,(H2,25,29)/t15-/m1/s1
InChIKeyZULOETSIOFVBBP-OAHLLOKOSA-N
MW434.37 g/mol
LogP3.96
Rot. Bonds3

About 2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide

2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 155095691) has the molecular formula C21H25Cl2N5O and a molecular weight of 434.37 g/mol. Its IUPAC name is 2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID155095691
Molecular FormulaC21H25Cl2N5O
Molecular Weight434.37 g/mol
Exact Mass433.14
IUPAC Name2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C21H25Cl2N5O/c1-12-16(13-4-2-5-14(22)17(13)23)18(19(25)29)27-20(26-12)28-10-8-21(9-11-28)7-3-6-15(21)24/h2,4-5,15H,3,6-11,24H2,1H3,(H2,25,29)/t15-/m1/s1
InChIKeyZULOETSIOFVBBP-OAHLLOKOSA-N
XLogP3.96
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide (CID 155095691) is 2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide is Cc1nc(N2CCC3(CCC[C@H]3N)CC2)nc(C(N)=O)c1-c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is ZULOETSIOFVBBP-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25Cl2N5O/c1-12-16(13-4-2-5-14(22)17(13)23)18(19(25)29)27-20(26-12)28-10-8-21(9-11-28)7-3-6-15(21)24/h2,4-5,15H,3,6-11,24H2,1H3,(H2,25,29)/t15-/m1/s1.
What are the key properties of 2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 434.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 155095691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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