[4-(3-methylphenyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-5-yl]methanone

C20H27N5O — CID 109248684

IUPAC[4-(3-methylphenyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-5-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cnc(NCC(C)C)nc3)CC2)c1
InChIInChI=1S/C20H27N5O/c1-15(2)12-21-20-22-13-17(14-23-20)19(26)25-9-7-24(8-10-25)18-6-4-5-16(3)11-18/h4-6,11,13-15H,7-10,12H2,1-3H3,(H,21,22,23)
InChIKeyGDKHPABVWDNFNC-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.82
Rot. Bonds5

About [4-(3-methylphenyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-5-yl]methanone

[4-(3-methylphenyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-5-yl]methanone (PubChem CID 109248684) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is [4-(3-methylphenyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[4-(3-methylphenyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-5-yl]methanone
PubChem CID109248684
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name[4-(3-methylphenyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-5-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cnc(NCC(C)C)nc3)CC2)c1
InChIInChI=1S/C20H27N5O/c1-15(2)12-21-20-22-13-17(14-23-20)19(26)25-9-7-24(8-10-25)18-6-4-5-16(3)11-18/h4-6,11,13-15H,7-10,12H2,1-3H3,(H,21,22,23)
InChIKeyGDKHPABVWDNFNC-UHFFFAOYSA-N
XLogP2.82
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(3-methylphenyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-5-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
[4-(3-methylphenyl)piperazin-1-yl]-[4-(2-methylpropylamino)-2-pyridinyl]methanone
CID 109203100
[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109255963
[2-(2-methylanilino)pyrimidin-5-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109261992
[2-(2-methylpropylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109248626
[4-(3-chlorophenyl)piperazin-1-yl]-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109320858
[6-(3-methylbutylamino)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109352932
[6-(3-methylanilino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109160392
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(2-methoxyethylamino)pyrimidin-5-yl]methanone
CID 109251539
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
[4-(3-methylphenyl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 35875973
[4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone
CID 109319315

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-5-yl]methanone?
The IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-5-yl]methanone (CID 109248684) is [4-(3-methylphenyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for [4-(3-methylphenyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for [4-(3-methylphenyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-5-yl]methanone is Cc1cccc(N2CCN(C(=O)c3cnc(NCC(C)C)nc3)CC2)c1.
What is the InChIKey of [4-(3-methylphenyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-5-yl]methanone?
The InChIKey is GDKHPABVWDNFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-15(2)12-21-20-22-13-17(14-23-20)19(26)25-9-7-24(8-10-25)18-6-4-5-16(3)11-18/h4-6,11,13-15H,7-10,12H2,1-3H3,(H,21,22,23).
What are the key properties of [4-(3-methylphenyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-5-yl]methanone?
[4-(3-methylphenyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-5-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 109248684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).