[4-(1-aminopentan-3-yl)piperazin-1-yl]-pyrimidin-5-ylmethanone

C14H23N5O — CID 102921173

IUPAC[4-(1-aminopentan-3-yl)piperazin-1-yl]-pyrimidin-5-ylmethanone
SMILESCCC(CCN)N1CCN(C(=O)c2cncnc2)CC1
InChIInChI=1S/C14H23N5O/c1-2-13(3-4-15)18-5-7-19(8-6-18)14(20)12-9-16-11-17-10-12/h9-11,13H,2-8,15H2,1H3
InChIKeySEZITACMXAYMGT-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.36
Rot. Bonds5

About [4-(1-aminopentan-3-yl)piperazin-1-yl]-pyrimidin-5-ylmethanone

[4-(1-aminopentan-3-yl)piperazin-1-yl]-pyrimidin-5-ylmethanone (PubChem CID 102921173) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is [4-(1-aminopentan-3-yl)piperazin-1-yl]-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[4-(1-aminopentan-3-yl)piperazin-1-yl]-pyrimidin-5-ylmethanone
PubChem CID102921173
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name[4-(1-aminopentan-3-yl)piperazin-1-yl]-pyrimidin-5-ylmethanone
SMILESCCC(CCN)N1CCN(C(=O)c2cncnc2)CC1
InChIInChI=1S/C14H23N5O/c1-2-13(3-4-15)18-5-7-19(8-6-18)14(20)12-9-16-11-17-10-12/h9-11,13H,2-8,15H2,1H3
InChIKeySEZITACMXAYMGT-UHFFFAOYSA-N
XLogP0.36
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-aminopentan-3-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63085261
[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-phenylmethanone
CID 43252177
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone
CID 43367590
ethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate
CID 43252483
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 55201582
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methylbutan-1-one
CID 43252147
[4-(5-aminopentyl)piperazin-1-yl]-pyrimidin-5-ylmethanone
CID 102921171
1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]propan-1-one
CID 43252178
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-pyrimidin-5-ylmethanone
CID 104627474
[3-(2-aminoethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922928
[3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922233
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-cyclobutylethanone
CID 103161385

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminopentan-3-yl)piperazin-1-yl]-pyrimidin-5-ylmethanone?
The IUPAC name of [4-(1-aminopentan-3-yl)piperazin-1-yl]-pyrimidin-5-ylmethanone (CID 102921173) is [4-(1-aminopentan-3-yl)piperazin-1-yl]-pyrimidin-5-ylmethanone.
What is the SMILES notation for [4-(1-aminopentan-3-yl)piperazin-1-yl]-pyrimidin-5-ylmethanone?
The canonical SMILES for [4-(1-aminopentan-3-yl)piperazin-1-yl]-pyrimidin-5-ylmethanone is CCC(CCN)N1CCN(C(=O)c2cncnc2)CC1.
What is the InChIKey of [4-(1-aminopentan-3-yl)piperazin-1-yl]-pyrimidin-5-ylmethanone?
The InChIKey is SEZITACMXAYMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-2-13(3-4-15)18-5-7-19(8-6-18)14(20)12-9-16-11-17-10-12/h9-11,13H,2-8,15H2,1H3.
What are the key properties of [4-(1-aminopentan-3-yl)piperazin-1-yl]-pyrimidin-5-ylmethanone?
[4-(1-aminopentan-3-yl)piperazin-1-yl]-pyrimidin-5-ylmethanone has a molecular weight of 277.37 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminopentan-3-yl)piperazin-1-yl]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 102921173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).