1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone

C17H27N5O — CID 51106955

IUPAC1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone
SMILESCc1cc(N2CCN(C(=O)CC3CCCCC3)CC2)nc(N)n1
InChIInChI=1S/C17H27N5O/c1-13-11-15(20-17(18)19-13)21-7-9-22(10-8-21)16(23)12-14-5-3-2-4-6-14/h11,14H,2-10,12H2,1H3,(H2,18,19,20)
InChIKeyDDDRMMWFYMUBCQ-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.99
Rot. Bonds3

About 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone

1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone (PubChem CID 51106955) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone.

Molecular Properties

Compound Name1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone
PubChem CID51106955
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone
SMILESCc1cc(N2CCN(C(=O)CC3CCCCC3)CC2)nc(N)n1
InChIInChI=1S/C17H27N5O/c1-13-11-15(20-17(18)19-13)21-7-9-22(10-8-21)16(23)12-14-5-3-2-4-6-14/h11,14H,2-10,12H2,1H3,(H2,18,19,20)
InChIKeyDDDRMMWFYMUBCQ-UHFFFAOYSA-N
XLogP1.99
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyl-1-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]ethanone
CID 133469560
(5S)-5-[3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 97109983
(3R)-3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 97112972
4-(azocan-1-yl)-6-methylpyrimidin-2-amine
CID 11521403
5-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-1-ethylpiperidin-2-one
CID 70755456
2-cyclohexyl-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053550
1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-ol
CID 112724371
2-cyclohexyl-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053451
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 118776866
(5S)-9-(2-amino-6-methylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97188648
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 119837055
3-cyclohexyl-1-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 121090195

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone?
The IUPAC name of 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone (CID 51106955) is 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone.
What is the SMILES notation for 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone?
The canonical SMILES for 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone is Cc1cc(N2CCN(C(=O)CC3CCCCC3)CC2)nc(N)n1.
What is the InChIKey of 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone?
The InChIKey is DDDRMMWFYMUBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-13-11-15(20-17(18)19-13)21-7-9-22(10-8-21)16(23)12-14-5-3-2-4-6-14/h11,14H,2-10,12H2,1H3,(H2,18,19,20).
What are the key properties of 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone?
1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone has a molecular weight of 317.44 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone is sourced from PubChem (CID 51106955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).