[1-(5-aminopyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone

C15H24N6O — CID 140653092

IUPAC[1-(5-aminopyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCN(c3ncncc3N)CC2)CC1
InChIInChI=1S/C15H24N6O/c1-19-6-8-21(9-7-19)15(22)12-2-4-20(5-3-12)14-13(16)10-17-11-18-14/h10-12H,2-9,16H2,1H3
InChIKeyWDSNXSBMDMXAQM-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.05
Rot. Bonds2

About [1-(5-aminopyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone

[1-(5-aminopyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 140653092) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is [1-(5-aminopyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(5-aminopyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID140653092
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name[1-(5-aminopyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCN(c3ncncc3N)CC2)CC1
InChIInChI=1S/C15H24N6O/c1-19-6-8-21(9-7-19)15(22)12-2-4-20(5-3-12)14-13(16)10-17-11-18-14/h10-12H,2-9,16H2,1H3
InChIKeyWDSNXSBMDMXAQM-UHFFFAOYSA-N
XLogP0.05
TPSA78.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(3-amino-4-pyridinyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 90205765
[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53165655
1-(5-aminopyrimidin-4-yl)piperidine-3-carboxamide
CID 79910682
morpholin-4-yl-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53165660
4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-5-amine
CID 79916753
(4-ethylpiperazin-1-yl)-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53165758
N-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
CID 53165881
cyclopentyl-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343339
1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethanone
CID 83889456
4-(4-carbamoylpiperidin-1-yl)pyrimidine-5-carboxylic acid
CID 114213997
N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
CID 53165875
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589

Frequently Asked Questions

What is the IUPAC name of [1-(5-aminopyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-(5-aminopyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 140653092) is [1-(5-aminopyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(5-aminopyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(5-aminopyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2CCN(c3ncncc3N)CC2)CC1.
What is the InChIKey of [1-(5-aminopyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is WDSNXSBMDMXAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-19-6-8-21(9-7-19)15(22)12-2-4-20(5-3-12)14-13(16)10-17-11-18-14/h10-12H,2-9,16H2,1H3.
What are the key properties of [1-(5-aminopyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
[1-(5-aminopyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 304.40 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-aminopyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 140653092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).