N-[3-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide

C17H26N6O2 — CID 133492568

IUPACN-[3-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
SMILESCN1CCN(c2cc(NCCCNC(=O)C3CCC3)ncn2)CC1=O
InChIInChI=1S/C17H26N6O2/c1-22-8-9-23(11-16(22)24)15-10-14(20-12-21-15)18-6-3-7-19-17(25)13-4-2-5-13/h10,12-13H,2-9,11H2,1H3,(H,19,25)(H,18,20,21)
InChIKeyTYYXEGNDCXBXOK-UHFFFAOYSA-N
MW346.44 g/mol
LogP0.47
Rot. Bonds7

About N-[3-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide

N-[3-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide (PubChem CID 133492568) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[3-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
PubChem CID133492568
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC NameN-[3-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
SMILESCN1CCN(c2cc(NCCCNC(=O)C3CCC3)ncn2)CC1=O
InChIInChI=1S/C17H26N6O2/c1-22-8-9-23(11-16(22)24)15-10-14(20-12-21-15)18-6-3-7-19-17(25)13-4-2-5-13/h10,12-13H,2-9,11H2,1H3,(H,19,25)(H,18,20,21)
InChIKeyTYYXEGNDCXBXOK-UHFFFAOYSA-N
XLogP0.47
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[6-(3-anilinopropylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 100648289
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 122327457
1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 122051078
2-methyl-N-[3-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propyl]propanamide
CID 100650371
1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133492295
1-methyl-4-[6-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]piperazin-2-one
CID 133464683
4-[6-[(2-hydroxy-2-methylbutyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464327
N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentanecarboxamide
CID 71799969
N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]cyclobutanecarboxamide
CID 122290861
(2S)-4-methyl-2-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]pentanoic acid
CID 122050080
4-[6-[3-(1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464172
4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464744

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide (CID 133492568) is N-[3-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide is CN1CCN(c2cc(NCCCNC(=O)C3CCC3)ncn2)CC1=O.
What is the InChIKey of N-[3-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
The InChIKey is TYYXEGNDCXBXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-22-8-9-23(11-16(22)24)15-10-14(20-12-21-15)18-6-3-7-19-17(25)13-4-2-5-13/h10,12-13H,2-9,11H2,1H3,(H,19,25)(H,18,20,21).
What are the key properties of N-[3-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
N-[3-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide has a molecular weight of 346.44 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 133492568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).