[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone

C20H21Cl2N5O2 — CID 46899755

IUPAC[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone
SMILESCc1nc2nc(C(=O)N3COCC3(C)C)cn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C20H21Cl2N5O2/c1-11-14(7-23)17(13-5-4-12(21)6-15(13)22)26-8-16(25-19(26)24-11)18(28)27-10-29-9-20(27,2)3/h4-6,8H,7,9-10,23H2,1-3H3
InChIKeyOQFFZYFZRBISJN-UHFFFAOYSA-N
MW434.33 g/mol
LogP3.68
Rot. Bonds3

About [6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone

[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone (PubChem CID 46899755) has the molecular formula C20H21Cl2N5O2 and a molecular weight of 434.33 g/mol. Its IUPAC name is [6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone.

Molecular Properties

Compound Name[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone
PubChem CID46899755
Molecular FormulaC20H21Cl2N5O2
Molecular Weight434.33 g/mol
Exact Mass433.11
IUPAC Name[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone
SMILESCc1nc2nc(C(=O)N3COCC3(C)C)cn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C20H21Cl2N5O2/c1-11-14(7-23)17(13-5-4-12(21)6-15(13)22)26-8-16(25-19(26)24-11)18(28)27-10-29-9-20(27,2)3/h4-6,8H,7,9-10,23H2,1-3H3
InChIKeyOQFFZYFZRBISJN-UHFFFAOYSA-N
XLogP3.68
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxylate
CID 11559922
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-(pyridin-2-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900258
Sa-(+)-(6-(Aminomethyl)-5-(2,4-Dichlorophenyl)-7-Methylimidazo[1,2-A]pyrimidin-2-Yl)(Morpholino)methanone
CID 11546261
(6-(Aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)(pyrrolidin-1-yl)methanone
CID 11567606
4-(6-(Aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl)piperazin-2-one
CID 46899593
N-((3S)-1-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl)methanesulfonamide
CID 46899595
(6-(Aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)(4-(methylsulfonyl)piperazin-1-yl)methanone
CID 46899596
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(2-(methylsulfonyl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46899597
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(1,3-dimethyl-1H-pyrazol-5-yl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 46899752
1-(6-(Aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)-2-(pyridin-3-ylamino)ethanone
CID 46899937
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(1-ethyl-1H-pyrazol-5-yl)-7-methylimidazo(1,2-a)pyrimidine-2-carboxamide
CID 46899938
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(2-(pyridin-2-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46899941

Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone?
The IUPAC name of [6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone (CID 46899755) is [6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone.
What is the SMILES notation for [6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone?
The canonical SMILES for [6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone is Cc1nc2nc(C(=O)N3COCC3(C)C)cn2c(-c2ccc(Cl)cc2Cl)c1CN.
What is the InChIKey of [6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone?
The InChIKey is OQFFZYFZRBISJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N5O2/c1-11-14(7-23)17(13-5-4-12(21)6-15(13)22)26-8-16(25-19(26)24-11)18(28)27-10-29-9-20(27,2)3/h4-6,8H,7,9-10,23H2,1-3H3.
What are the key properties of [6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone?
[6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone has a molecular weight of 434.33 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone is sourced from PubChem (CID 46899755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).