1-amino-6-(6-azaspiro[2.5]octan-6-yl)-3-(2,3-dichlorophenyl)-2,5-dimethyl-2H-pyrimidin-4-one

C19H24Cl2N4O — CID 155165299

IUPAC1-amino-6-(6-azaspiro[2.5]octan-6-yl)-3-(2,3-dichlorophenyl)-2,5-dimethyl-2H-pyrimidin-4-one
SMILESCC1=C(N2CCC3(CC2)CC3)N(N)C(C)N(c2cccc(Cl)c2Cl)C1=O
InChIInChI=1S/C19H24Cl2N4O/c1-12-17(23-10-8-19(6-7-19)9-11-23)25(22)13(2)24(18(12)26)15-5-3-4-14(20)16(15)21/h3-5,13H,6-11,22H2,1-2H3
InChIKeyDHUREEITVUQPGS-UHFFFAOYSA-N
MW395.33 g/mol
LogP3.97
Rot. Bonds2

About 1-amino-6-(6-azaspiro[2.5]octan-6-yl)-3-(2,3-dichlorophenyl)-2,5-dimethyl-2H-pyrimidin-4-one

1-amino-6-(6-azaspiro[2.5]octan-6-yl)-3-(2,3-dichlorophenyl)-2,5-dimethyl-2H-pyrimidin-4-one (PubChem CID 155165299) has the molecular formula C19H24Cl2N4O and a molecular weight of 395.33 g/mol. Its IUPAC name is 1-amino-6-(6-azaspiro[2.5]octan-6-yl)-3-(2,3-dichlorophenyl)-2,5-dimethyl-2H-pyrimidin-4-one.

Molecular Properties

Compound Name1-amino-6-(6-azaspiro[2.5]octan-6-yl)-3-(2,3-dichlorophenyl)-2,5-dimethyl-2H-pyrimidin-4-one
PubChem CID155165299
Molecular FormulaC19H24Cl2N4O
Molecular Weight395.33 g/mol
Exact Mass394.13
IUPAC Name1-amino-6-(6-azaspiro[2.5]octan-6-yl)-3-(2,3-dichlorophenyl)-2,5-dimethyl-2H-pyrimidin-4-one
SMILESCC1=C(N2CCC3(CC2)CC3)N(N)C(C)N(c2cccc(Cl)c2Cl)C1=O
InChIInChI=1S/C19H24Cl2N4O/c1-12-17(23-10-8-19(6-7-19)9-11-23)25(22)13(2)24(18(12)26)15-5-3-4-14(20)16(15)21/h3-5,13H,6-11,22H2,1-2H3
InChIKeyDHUREEITVUQPGS-UHFFFAOYSA-N
XLogP3.97
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-6-(6-azaspiro[2.5]octan-6-yl)-3-(2,3-dichlorophenyl)-2,5-dimethyl-2H-pyrimidin-4-one?
The IUPAC name of 1-amino-6-(6-azaspiro[2.5]octan-6-yl)-3-(2,3-dichlorophenyl)-2,5-dimethyl-2H-pyrimidin-4-one (CID 155165299) is 1-amino-6-(6-azaspiro[2.5]octan-6-yl)-3-(2,3-dichlorophenyl)-2,5-dimethyl-2H-pyrimidin-4-one.
What is the SMILES notation for 1-amino-6-(6-azaspiro[2.5]octan-6-yl)-3-(2,3-dichlorophenyl)-2,5-dimethyl-2H-pyrimidin-4-one?
The canonical SMILES for 1-amino-6-(6-azaspiro[2.5]octan-6-yl)-3-(2,3-dichlorophenyl)-2,5-dimethyl-2H-pyrimidin-4-one is CC1=C(N2CCC3(CC2)CC3)N(N)C(C)N(c2cccc(Cl)c2Cl)C1=O.
What is the InChIKey of 1-amino-6-(6-azaspiro[2.5]octan-6-yl)-3-(2,3-dichlorophenyl)-2,5-dimethyl-2H-pyrimidin-4-one?
The InChIKey is DHUREEITVUQPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N4O/c1-12-17(23-10-8-19(6-7-19)9-11-23)25(22)13(2)24(18(12)26)15-5-3-4-14(20)16(15)21/h3-5,13H,6-11,22H2,1-2H3.
What are the key properties of 1-amino-6-(6-azaspiro[2.5]octan-6-yl)-3-(2,3-dichlorophenyl)-2,5-dimethyl-2H-pyrimidin-4-one?
1-amino-6-(6-azaspiro[2.5]octan-6-yl)-3-(2,3-dichlorophenyl)-2,5-dimethyl-2H-pyrimidin-4-one has a molecular weight of 395.33 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-(6-azaspiro[2.5]octan-6-yl)-3-(2,3-dichlorophenyl)-2,5-dimethyl-2H-pyrimidin-4-one is sourced from PubChem (CID 155165299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).