(4-ethylpiperazin-1-yl)-[6-methyl-2-(3-methylbutylamino)pyrimidin-4-yl]methanone

C17H29N5O — CID 109326189

IUPAC(4-ethylpiperazin-1-yl)-[6-methyl-2-(3-methylbutylamino)pyrimidin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2cc(C)nc(NCCC(C)C)n2)CC1
InChIInChI=1S/C17H29N5O/c1-5-21-8-10-22(11-9-21)16(23)15-12-14(4)19-17(20-15)18-7-6-13(2)3/h12-13H,5-11H2,1-4H3,(H,18,19,20)
InChIKeySZWXKTIDRHGVNN-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.02
Rot. Bonds6

About (4-ethylpiperazin-1-yl)-[6-methyl-2-(3-methylbutylamino)pyrimidin-4-yl]methanone

(4-ethylpiperazin-1-yl)-[6-methyl-2-(3-methylbutylamino)pyrimidin-4-yl]methanone (PubChem CID 109326189) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[6-methyl-2-(3-methylbutylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[6-methyl-2-(3-methylbutylamino)pyrimidin-4-yl]methanone
PubChem CID109326189
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name(4-ethylpiperazin-1-yl)-[6-methyl-2-(3-methylbutylamino)pyrimidin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2cc(C)nc(NCCC(C)C)n2)CC1
InChIInChI=1S/C17H29N5O/c1-5-21-8-10-22(11-9-21)16(23)15-12-14(4)19-17(20-15)18-7-6-13(2)3/h12-13H,5-11H2,1-4H3,(H,18,19,20)
InChIKeySZWXKTIDRHGVNN-UHFFFAOYSA-N
XLogP2.02
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109323265
(4-methylpiperazin-1-yl)-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
CID 109318879
(2-anilino-6-methylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone
CID 109326196
ethyl 4-[6-methyl-2-(propylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109318922
(4-ethylpiperazin-1-yl)-[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone
CID 109326278
(4-ethylpiperazin-1-yl)-[2-methyl-6-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109361944
ethyl 4-[2-(2-methoxyethylamino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109323537
methyl 4-[[4-(4-ethylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109326253
N-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109320680
ethyl 4-[2-(3-methylbutylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109310281
[6-methyl-2-(propylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109318929
[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109320855

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[6-methyl-2-(3-methylbutylamino)pyrimidin-4-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[6-methyl-2-(3-methylbutylamino)pyrimidin-4-yl]methanone (CID 109326189) is (4-ethylpiperazin-1-yl)-[6-methyl-2-(3-methylbutylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[6-methyl-2-(3-methylbutylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[6-methyl-2-(3-methylbutylamino)pyrimidin-4-yl]methanone is CCN1CCN(C(=O)c2cc(C)nc(NCCC(C)C)n2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[6-methyl-2-(3-methylbutylamino)pyrimidin-4-yl]methanone?
The InChIKey is SZWXKTIDRHGVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-5-21-8-10-22(11-9-21)16(23)15-12-14(4)19-17(20-15)18-7-6-13(2)3/h12-13H,5-11H2,1-4H3,(H,18,19,20).
What are the key properties of (4-ethylpiperazin-1-yl)-[6-methyl-2-(3-methylbutylamino)pyrimidin-4-yl]methanone?
(4-ethylpiperazin-1-yl)-[6-methyl-2-(3-methylbutylamino)pyrimidin-4-yl]methanone has a molecular weight of 319.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[6-methyl-2-(3-methylbutylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109326189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).