[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C18H20Cl2N4O — CID 109362953

IUPAC[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(NCCc2ccc(Cl)cc2Cl)cc(C(=O)N2CCCC2)n1
InChIInChI=1S/C18H20Cl2N4O/c1-12-22-16(18(25)24-8-2-3-9-24)11-17(23-12)21-7-6-13-4-5-14(19)10-15(13)20/h4-5,10-11H,2-3,6-9H2,1H3,(H,21,22,23)
InChIKeyVLQNAGLLRVWXHY-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.98
Rot. Bonds5

About [6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone

[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109362953) has the molecular formula C18H20Cl2N4O and a molecular weight of 379.29 g/mol. Its IUPAC name is [6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID109362953
Molecular FormulaC18H20Cl2N4O
Molecular Weight379.29 g/mol
Exact Mass378.10
IUPAC Name[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(NCCc2ccc(Cl)cc2Cl)cc(C(=O)N2CCCC2)n1
InChIInChI=1S/C18H20Cl2N4O/c1-12-22-16(18(25)24-8-2-3-9-24)11-17(23-12)21-7-6-13-4-5-14(19)10-15(13)20/h4-5,10-11H,2-3,6-9H2,1H3,(H,21,22,23)
InChIKeyVLQNAGLLRVWXHY-UHFFFAOYSA-N
XLogP3.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-[2-(3-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363675
N-cyclopentyl-6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109363323
6-[2-(2,4-dichlorophenyl)ethylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373410
[4-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203694
[6-(2,5-dichloroanilino)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363756
[6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363650
[6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365533
N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62786205
[2-[2-(4-chlorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321773
1-[4-[6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109367835
[2-[2-(4-chlorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322479
1-[4-[6-[2-(cyclohexen-1-yl)ethylamino]-2-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109364421

Frequently Asked Questions

What is the IUPAC name of [6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 109362953) is [6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone is Cc1nc(NCCc2ccc(Cl)cc2Cl)cc(C(=O)N2CCCC2)n1.
What is the InChIKey of [6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is VLQNAGLLRVWXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O/c1-12-22-16(18(25)24-8-2-3-9-24)11-17(23-12)21-7-6-13-4-5-14(19)10-15(13)20/h4-5,10-11H,2-3,6-9H2,1H3,(H,21,22,23).
What are the key properties of [6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 379.29 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109362953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).