[2-(butan-2-ylamino)pyrimidin-5-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

C21H29N5O — CID 109249071

IUPAC[2-(butan-2-ylamino)pyrimidin-5-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCCC(C)Nc1ncc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cn1
InChIInChI=1S/C21H29N5O/c1-5-16(3)24-21-22-13-18(14-23-21)20(27)26-11-9-25(10-12-26)19-8-6-7-15(2)17(19)4/h6-8,13-14,16H,5,9-12H2,1-4H3,(H,22,23,24)
InChIKeyMYRCHNQKIYATDR-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.27
Rot. Bonds5

About [2-(butan-2-ylamino)pyrimidin-5-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

[2-(butan-2-ylamino)pyrimidin-5-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (PubChem CID 109249071) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is [2-(butan-2-ylamino)pyrimidin-5-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(butan-2-ylamino)pyrimidin-5-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
PubChem CID109249071
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name[2-(butan-2-ylamino)pyrimidin-5-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCCC(C)Nc1ncc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cn1
InChIInChI=1S/C21H29N5O/c1-5-16(3)24-21-22-13-18(14-23-21)20(27)26-11-9-25(10-12-26)19-8-6-7-15(2)17(19)4/h6-8,13-14,16H,5,9-12H2,1-4H3,(H,22,23,24)
InChIKeyMYRCHNQKIYATDR-UHFFFAOYSA-N
XLogP3.27
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(butan-2-ylamino)pyrimidin-5-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[2-(butan-2-ylamino)-4-pyridinyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109165914
N-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzamide
CID 109044078
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(2-methoxyethylamino)pyrimidin-5-yl]methanone
CID 109251538
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252548
(5,6-dichloro-3-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 2102498
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 17217267
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone
CID 109174427
N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112883531
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 2712772
(2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110854415
(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28722555

Frequently Asked Questions

What is the IUPAC name of [2-(butan-2-ylamino)pyrimidin-5-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(butan-2-ylamino)pyrimidin-5-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (CID 109249071) is [2-(butan-2-ylamino)pyrimidin-5-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(butan-2-ylamino)pyrimidin-5-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(butan-2-ylamino)pyrimidin-5-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone is CCC(C)Nc1ncc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cn1.
What is the InChIKey of [2-(butan-2-ylamino)pyrimidin-5-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The InChIKey is MYRCHNQKIYATDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-5-16(3)24-21-22-13-18(14-23-21)20(27)26-11-9-25(10-12-26)19-8-6-7-15(2)17(19)4/h6-8,13-14,16H,5,9-12H2,1-4H3,(H,22,23,24).
What are the key properties of [2-(butan-2-ylamino)pyrimidin-5-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
[2-(butan-2-ylamino)pyrimidin-5-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone has a molecular weight of 367.50 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butan-2-ylamino)pyrimidin-5-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109249071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).