6-[4-(aminomethyl)-3,3-dimethylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one

C19H24Cl2N4O — CID 155165317

IUPAC6-[4-(aminomethyl)-3,3-dimethylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one
SMILESCc1c(N2CC(CN)C(C)(C)C2)nc(C)n(-c2cccc(Cl)c2Cl)c1=O
InChIInChI=1S/C19H24Cl2N4O/c1-11-17(24-9-13(8-22)19(3,4)10-24)23-12(2)25(18(11)26)15-7-5-6-14(20)16(15)21/h5-7,13H,8-10,22H2,1-4H3
InChIKeyADPSGTZZOVSGHZ-UHFFFAOYSA-N
MW395.33 g/mol
LogP3.58
Rot. Bonds3

About 6-[4-(aminomethyl)-3,3-dimethylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one

6-[4-(aminomethyl)-3,3-dimethylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one (PubChem CID 155165317) has the molecular formula C19H24Cl2N4O and a molecular weight of 395.33 g/mol. Its IUPAC name is 6-[4-(aminomethyl)-3,3-dimethylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name6-[4-(aminomethyl)-3,3-dimethylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one
PubChem CID155165317
Molecular FormulaC19H24Cl2N4O
Molecular Weight395.33 g/mol
Exact Mass394.13
IUPAC Name6-[4-(aminomethyl)-3,3-dimethylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one
SMILESCc1c(N2CC(CN)C(C)(C)C2)nc(C)n(-c2cccc(Cl)c2Cl)c1=O
InChIInChI=1S/C19H24Cl2N4O/c1-11-17(24-9-13(8-22)19(3,4)10-24)23-12(2)25(18(11)26)15-7-5-6-14(20)16(15)21/h5-7,13H,8-10,22H2,1-4H3
InChIKeyADPSGTZZOVSGHZ-UHFFFAOYSA-N
XLogP3.58
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)-3,3-dimethylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one?
The IUPAC name of 6-[4-(aminomethyl)-3,3-dimethylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one (CID 155165317) is 6-[4-(aminomethyl)-3,3-dimethylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one.
What is the SMILES notation for 6-[4-(aminomethyl)-3,3-dimethylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one?
The canonical SMILES for 6-[4-(aminomethyl)-3,3-dimethylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one is Cc1c(N2CC(CN)C(C)(C)C2)nc(C)n(-c2cccc(Cl)c2Cl)c1=O.
What is the InChIKey of 6-[4-(aminomethyl)-3,3-dimethylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one?
The InChIKey is ADPSGTZZOVSGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N4O/c1-11-17(24-9-13(8-22)19(3,4)10-24)23-12(2)25(18(11)26)15-7-5-6-14(20)16(15)21/h5-7,13H,8-10,22H2,1-4H3.
What are the key properties of 6-[4-(aminomethyl)-3,3-dimethylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one?
6-[4-(aminomethyl)-3,3-dimethylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one has a molecular weight of 395.33 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)-3,3-dimethylpyrrolidin-1-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one is sourced from PubChem (CID 155165317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).