[4-(3-chlorophenyl)piperazin-1-yl]-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]methanone

C20H26ClN5O — CID 109320858

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)nc(NCC(C)C)n1
InChIInChI=1S/C20H26ClN5O/c1-14(2)13-22-20-23-15(3)11-18(24-20)19(27)26-9-7-25(8-10-26)17-6-4-5-16(21)12-17/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,22,23,24)
InChIKeyGFDRPBIJIFPYGZ-UHFFFAOYSA-N
MW387.92 g/mol
LogP3.47
Rot. Bonds5

About [4-(3-chlorophenyl)piperazin-1-yl]-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]methanone

[4-(3-chlorophenyl)piperazin-1-yl]-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]methanone (PubChem CID 109320858) has the molecular formula C20H26ClN5O and a molecular weight of 387.92 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]methanone
PubChem CID109320858
Molecular FormulaC20H26ClN5O
Molecular Weight387.92 g/mol
Exact Mass387.18
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)nc(NCC(C)C)n1
InChIInChI=1S/C20H26ClN5O/c1-14(2)13-22-20-23-15(3)11-18(24-20)19(27)26-9-7-25(8-10-26)17-6-4-5-16(21)12-17/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,22,23,24)
InChIKeyGFDRPBIJIFPYGZ-UHFFFAOYSA-N
XLogP3.47
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.92
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(3-chlorophenyl)piperazin-1-yl]-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]methanone with MolForge

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Related Compounds

[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109320855
[2-(butan-2-ylamino)-6-methylpyrimidin-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109321239
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(cyclopentylamino)-6-methylpyrimidin-4-yl]methanone
CID 109321969
[4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
CID 109318924
[4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone
CID 109319315
[4-(3-chlorophenyl)piperazin-1-yl]-(6-methylpyrimidin-4-yl)methanone
CID 110854458
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 112908525
[2-[2-(3-chlorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322506
[4-(3-methylphenyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-5-yl]methanone
CID 109248684
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 112923605
[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109319693
[4-(3-methylphenyl)piperazin-1-yl]-[4-(2-methylpropylamino)-2-pyridinyl]methanone
CID 109203100

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]methanone (CID 109320858) is [4-(3-chlorophenyl)piperazin-1-yl]-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]methanone is Cc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)nc(NCC(C)C)n1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]methanone?
The InChIKey is GFDRPBIJIFPYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O/c1-14(2)13-22-20-23-15(3)11-18(24-20)19(27)26-9-7-25(8-10-26)17-6-4-5-16(21)12-17/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,22,23,24).
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]methanone has a molecular weight of 387.92 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109320858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).