4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one

C19H18Cl2N6O2 — CID 46899593

IUPAC4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one
SMILESCc1nc2nc(C(=O)N3CCNC(=O)C3)cn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C19H18Cl2N6O2/c1-10-13(7-22)17(12-3-2-11(20)6-14(12)21)27-8-15(25-19(27)24-10)18(29)26-5-4-23-16(28)9-26/h2-3,6,8H,4-5,7,9,22H2,1H3,(H,23,28)
InChIKeyKRTKHGSZOGTURQ-UHFFFAOYSA-N
MW433.30 g/mol
LogP2.04
Rot. Bonds3

About 4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one

4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one (PubChem CID 46899593) has the molecular formula C19H18Cl2N6O2 and a molecular weight of 433.30 g/mol. Its IUPAC name is 4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one
PubChem CID46899593
Molecular FormulaC19H18Cl2N6O2
Molecular Weight433.30 g/mol
Exact Mass432.09
IUPAC Name4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one
SMILESCc1nc2nc(C(=O)N3CCNC(=O)C3)cn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C19H18Cl2N6O2/c1-10-13(7-22)17(12-3-2-11(20)6-14(12)21)27-8-15(25-19(27)24-10)18(29)26-5-4-23-16(28)9-26/h2-3,6,8H,4-5,7,9,22H2,1H3,(H,23,28)
InChIKeyKRTKHGSZOGTURQ-UHFFFAOYSA-N
XLogP2.04
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one?
The IUPAC name of 4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one (CID 46899593) is 4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one is Cc1nc2nc(C(=O)N3CCNC(=O)C3)cn2c(-c2ccc(Cl)cc2Cl)c1CN.
What is the InChIKey of 4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one?
The InChIKey is KRTKHGSZOGTURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N6O2/c1-10-13(7-22)17(12-3-2-11(20)6-14(12)21)27-8-15(25-19(27)24-10)18(29)26-5-4-23-16(28)9-26/h2-3,6,8H,4-5,7,9,22H2,1H3,(H,23,28).
What are the key properties of 4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one?
4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one has a molecular weight of 433.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 46899593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).