1-[4-[4-(tert-butylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone

C15H25N5O — CID 112915012

IUPAC1-[4-[4-(tert-butylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(C)cc(NC(C)(C)C)n2)CC1
InChIInChI=1S/C15H25N5O/c1-11-10-13(18-15(3,4)5)17-14(16-11)20-8-6-19(7-9-20)12(2)21/h10H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyMKZPYKAQWGKAIC-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.66
Rot. Bonds2

About 1-[4-[4-(tert-butylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone

1-[4-[4-(tert-butylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone (PubChem CID 112915012) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[4-[4-(tert-butylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(tert-butylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
PubChem CID112915012
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-[4-[4-(tert-butylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(C)cc(NC(C)(C)C)n2)CC1
InChIInChI=1S/C15H25N5O/c1-11-10-13(18-15(3,4)5)17-14(16-11)20-8-6-19(7-9-20)12(2)21/h10H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyMKZPYKAQWGKAIC-UHFFFAOYSA-N
XLogP1.66
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-methyl-6-(prop-2-enylamino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112907704
1-[4-[4-[(4-fluorophenyl)methylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112914973
1-[4-[4-methyl-6-(2-phenylethylamino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112914983
1-[4-[4-[(4-chlorophenyl)methylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112914975
1-[4-[4-methyl-6-(3-methylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915025
1-[4-[4-(3,4-dichloroanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915095
1-[4-[4-[(4-methoxyphenyl)methylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112914977
1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 18566443
1-[4-[4-methyl-6-(4-pyrrolidin-1-ylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915082
1-[4-[4-(4-ethylanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915036
1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 40829090
1-[4-[4-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112911054

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(tert-butylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(tert-butylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone (CID 112915012) is 1-[4-[4-(tert-butylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(tert-butylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(tert-butylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(C)cc(NC(C)(C)C)n2)CC1.
What is the InChIKey of 1-[4-[4-(tert-butylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is MKZPYKAQWGKAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-11-10-13(18-15(3,4)5)17-14(16-11)20-8-6-19(7-9-20)12(2)21/h10H,6-9H2,1-5H3,(H,16,17,18).
What are the key properties of 1-[4-[4-(tert-butylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone?
1-[4-[4-(tert-butylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 291.40 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(tert-butylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 112915012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).