[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-pyrimidin-2-yloxyphenyl)methanone

C22H25N7O2 — CID 56921174

IUPAC[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-pyrimidin-2-yloxyphenyl)methanone
SMILESCc1nc(N(C)C)cc(N2CCN(C(=O)c3ccc(Oc4ncccn4)cc3)CC2)n1
InChIInChI=1S/C22H25N7O2/c1-16-25-19(27(2)3)15-20(26-16)28-11-13-29(14-12-28)21(30)17-5-7-18(8-6-17)31-22-23-9-4-10-24-22/h4-10,15H,11-14H2,1-3H3
InChIKeyOGWYKLWNJBITTI-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.40
Rot. Bonds5

About [4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-pyrimidin-2-yloxyphenyl)methanone

[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-pyrimidin-2-yloxyphenyl)methanone (PubChem CID 56921174) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is [4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-pyrimidin-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-pyrimidin-2-yloxyphenyl)methanone
PubChem CID56921174
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-pyrimidin-2-yloxyphenyl)methanone
SMILESCc1nc(N(C)C)cc(N2CCN(C(=O)c3ccc(Oc4ncccn4)cc3)CC2)n1
InChIInChI=1S/C22H25N7O2/c1-16-25-19(27(2)3)15-20(26-16)28-11-13-29(14-12-28)21(30)17-5-7-18(8-6-17)31-22-23-9-4-10-24-22/h4-10,15H,11-14H2,1-3H3
InChIKeyOGWYKLWNJBITTI-UHFFFAOYSA-N
XLogP2.40
TPSA87.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-pyrimidin-2-yloxyphenyl)methanone 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

[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 122340350
(4-methoxyphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 42473413
[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 122332488
[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 122340190
(4-methoxyphenyl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342217
1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 122340259
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 122334080
(4-methylpiperidin-1-yl)-(4-pyrimidin-2-yloxyphenyl)methanone
CID 70702933
(2,4-dichlorophenyl)-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 122340188
(4-butoxyphenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748457
(4-ethoxyphenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108759809
(3,4-dimethylphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 121035067

Frequently Asked Questions

What is the IUPAC name of [4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-pyrimidin-2-yloxyphenyl)methanone?
The IUPAC name of [4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-pyrimidin-2-yloxyphenyl)methanone (CID 56921174) is [4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-pyrimidin-2-yloxyphenyl)methanone.
What is the SMILES notation for [4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-pyrimidin-2-yloxyphenyl)methanone?
The canonical SMILES for [4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-pyrimidin-2-yloxyphenyl)methanone is Cc1nc(N(C)C)cc(N2CCN(C(=O)c3ccc(Oc4ncccn4)cc3)CC2)n1.
What is the InChIKey of [4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-pyrimidin-2-yloxyphenyl)methanone?
The InChIKey is OGWYKLWNJBITTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-16-25-19(27(2)3)15-20(26-16)28-11-13-29(14-12-28)21(30)17-5-7-18(8-6-17)31-22-23-9-4-10-24-22/h4-10,15H,11-14H2,1-3H3.
What are the key properties of [4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-pyrimidin-2-yloxyphenyl)methanone?
[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-pyrimidin-2-yloxyphenyl)methanone has a molecular weight of 419.49 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-pyrimidin-2-yloxyphenyl)methanone is sourced from PubChem (CID 56921174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).