[2-[butyl(methyl)amino]-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone

C17H29N5O — CID 109326191

IUPAC[2-[butyl(methyl)amino]-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCCCN(C)c1nc(C)cc(C(=O)N2CCN(CC)CC2)n1
InChIInChI=1S/C17H29N5O/c1-5-7-8-20(4)17-18-14(3)13-15(19-17)16(23)22-11-9-21(6-2)10-12-22/h13H,5-12H2,1-4H3
InChIKeyLOLQYFREXMLLNO-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.80
Rot. Bonds6

About [2-[butyl(methyl)amino]-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone

[2-[butyl(methyl)amino]-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 109326191) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is [2-[butyl(methyl)amino]-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[butyl(methyl)amino]-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID109326191
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name[2-[butyl(methyl)amino]-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCCCN(C)c1nc(C)cc(C(=O)N2CCN(CC)CC2)n1
InChIInChI=1S/C17H29N5O/c1-5-7-8-20(4)17-18-14(3)13-15(19-17)16(23)22-11-9-21(6-2)10-12-22/h13H,5-12H2,1-4H3
InChIKeyLOLQYFREXMLLNO-UHFFFAOYSA-N
XLogP1.80
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326695
(4-benzylpiperazin-1-yl)-[2-[butyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone
CID 109331519
N-butan-2-yl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109321443
N-tert-butyl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109332729
(4-benzylpiperazin-1-yl)-[2-(dipropylamino)-6-methylpyrimidin-4-yl]methanone
CID 109331521
[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322452
azepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone
CID 109328241
4-[4-(4-ethylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 109326145
2-[butyl(methyl)amino]-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109333535
[6-[3-(dimethylamino)propylamino]-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109366557
[6-[butyl(methyl)amino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365564
(2-anilino-6-methylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone
CID 109326196

Frequently Asked Questions

What is the IUPAC name of [2-[butyl(methyl)amino]-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [2-[butyl(methyl)amino]-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone (CID 109326191) is [2-[butyl(methyl)amino]-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[butyl(methyl)amino]-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[butyl(methyl)amino]-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone is CCCCN(C)c1nc(C)cc(C(=O)N2CCN(CC)CC2)n1.
What is the InChIKey of [2-[butyl(methyl)amino]-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is LOLQYFREXMLLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-5-7-8-20(4)17-18-14(3)13-15(19-17)16(23)22-11-9-21(6-2)10-12-22/h13H,5-12H2,1-4H3.
What are the key properties of [2-[butyl(methyl)amino]-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
[2-[butyl(methyl)amino]-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 319.45 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[butyl(methyl)amino]-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 109326191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).